*HEADER    HORMONE/GROWTH FACTOR/DNA               17-DEC-05   2FF0              
*TITLE     SOLUTION STRUCTURE OF STEROIDOGENIC FACTOR 1 DNA BINDING              
*TITLE    2 DOMAIN BOUND TO ITS TARGET SEQUENCE IN THE INHIBIN ALPHA-            
*TITLE    3 SUBUNIT PROMOTER                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: STEROIDOGENIC FACTOR 1;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DNA BINDING DOMAIN;                                        
*COMPND   5 SYNONYM: STF-1, SF-1, ADRENAL 4 BINDING PROTEIN, STEROID             
*COMPND   6 HORMONE RECEPTOR AD4BP, FUSHI TARAZU FACTOR HOMOLOG 1,               
*COMPND   7 EMBRYONAL LTR BINDING PROTEIN, ELP, EMBRYONAL LONG                   
*COMPND   8 TERMINAL REPEAT- BINDING PROTEIN, STEROID HYDROXYLASE                
*COMPND   9 POSITIVE REGULATOR;                                                  
*COMPND  10 ENGINEERED: YES;                                                     
*COMPND  11 MOL_ID: 2;                                                           
*COMPND  12 MOLECULE: GGCTCAGGGCCACAG;                                           
*COMPND  13 CHAIN: B;                                                            
*COMPND  14 FRAGMENT: INHIBIN ALPHA-SUBUNIT PROMOTER;                            
*COMPND  15 ENGINEERED: YES;                                                     
*COMPND  16 MOL_ID: 3;                                                           
*COMPND  17 MOLECULE: CTGTGGCCCTGAGCC;                                           
*COMPND  18 CHAIN: C;                                                            
*COMPND  19 FRAGMENT: INHIBIN ALPHA-SUBUNIT PROMOTER;                            
*COMPND  20 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 GENE: NR5A1, FTZF1;                                                  
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PMCSG7;                                   
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES;                                                      
*SOURCE  12 OTHER_DETAILS: THE DNA SEQUENCE WAS SYNTHESIZED VIA                  
*SOURCE  13 AUTOMATED METHODS;                                                   
*SOURCE  14 MOL_ID: 3;                                                           
*SOURCE  15 SYNTHETIC: YES;                                                      
*SOURCE  16 OTHER_DETAILS: THE DNA SEQUENCE WAS SYNTHESIZED VIA                  
*SOURCE  17 AUTOMATED METHODS                                                    
*KEYWDS    NUCLEAR HORMONE RECEPTOR, PROTEIN-DNA COMPLEX, MONOMERIC              
*KEYWDS   2 RECEPTOR-DNA COMPLEX                                                 
*EXPDTA    NMR, 16 STRUCTURES                                                    
*AUTHOR    T.H.LITTLE, Y.ZHANG, C.K.MATULIS, J.WECK, Z.ZHANG,                    
*AUTHOR   2 A.RAMACHANDRAN, K.E.MAYO, I.RADHAKRISHNAN                            
*REVDAT   1   11-APR-06 2FF0    0                                                


 ASSI {    8}
   (( segid "SF1 " and resid 38   and name HB1 ))
   (  segid "SF1 " and resid 92   and name HE% )
      4.000     2.000     2.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.96968E-03 ppm1      1.735 ppm2      3.607 CV     1
 OR {    8}
   (( segid "SF1 " and resid 39   and name HA  ))
   (  segid "SF1 " and resid 92   and name HE% )
 ASSI {   11}
   (  segid "SF1 " and resid 39   and name HD% )
   (  segid "SF1 " and resid 92   and name HE% )
      2.500     0.800     0.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.53732E-02 ppm1      1.737 ppm2      6.824 CV     1
 OR {   11}
   (  segid "SF1 " and resid 51   and name HE% )
   (  segid "SF1 " and resid 92   and name HE% )
 ASSI {   12}
   (  segid "SF1 " and resid 51   and name HD% )
   (  segid "SF1 " and resid 92   and name HE% )
      3.100     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.18709E-02 ppm1      1.734 ppm2      7.076 CV     1
 OR {   12}
   (  segid "SF1 " and resid 39   and name HE% )
   (  segid "SF1 " and resid 92   and name HE% )
 ASSI {   13}
   (( segid "SF1 " and resid 52   and name HN  ))
   (  segid "SF1 " and resid 92   and name HE% )
      3.100     3.100     2.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.74152E-03 ppm1      1.737 ppm2      7.957 CV     1
 OR {   13}
   (( segid "SF1 " and resid 86   and name HN  ))
   (  segid "SF1 " and resid 92   and name HE% )
 ASSI {   14}
   (( segid "SF1 " and resid 93   and name HN  ))
   (  segid "SF1 " and resid 92   and name HE% )
      3.300     1.400     1.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.48084E-03 ppm1      1.736 ppm2      8.774 CV     1
 OR {   14}
   (( segid "SF1 " and resid 29   and name HN  ))
   (  segid "SF1 " and resid 92   and name HE% )
 ASSI {   22}
   (( segid "SF1 " and resid 113  and name HN  ))
   (  segid "SF1 " and resid 112  and name HE% )
      3.000     3.000     3.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.74152E-03 ppm1      1.862 ppm2      7.743 CV     1
 OR {   22}
   (( segid "SF1 " and resid 96   and name HN  ))
   (  segid "SF1 " and resid 112  and name HE% )
 ASSI {   34}
   (( segid "SF1 " and resid 76   and name HB2 ))
   (  segid "SF1 " and resid 71   and name HG2%)
      2.700     0.900     0.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.29604E-02 ppm1      0.528 ppm2      1.193 CV     1
 OR {   34}
   (( segid "SF1 " and resid 83   and name HG1 ))
   (  segid "SF1 " and resid 71   and name HG2%)
 ASSI {   37}
   (( segid "SF1 " and resid 76   and name HB1 ))
   (  segid "SF1 " and resid 71   and name HG2%)
      2.600     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.43750E-02 ppm1      0.529 ppm2      1.816 CV     1
 OR {   37}
   (( segid "SF1 " and resid 86   and name HB2 ))
   (  segid "SF1 " and resid 71   and name HG2%)
 OR {   37}
   (( segid "SF1 " and resid 75   and name HB2 ))
   (  segid "SF1 " and resid 71   and name HG2%)
 ASSI {   39}
   (( segid "SF1 " and resid 83   and name HD1 ))
   (  segid "SF1 " and resid 71   and name HG2%)
      3.900     1.900     1.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.97537E-03 ppm1      0.533 ppm2      2.347 CV     1
 OR {   39}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (  segid "SF1 " and resid 71   and name HG2%)
 ASSI {   40}
   (( segid "SF1 " and resid 30   and name HB1 ))
   (  segid "SF1 " and resid 71   and name HG2%)
      3.400     1.500     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      0.531 ppm2      2.715 CV     1
 OR {   40}
   (( segid "SF1 " and resid 76   and name HD2 ))
   (  segid "SF1 " and resid 71   and name HG2%)
 ASSI {   41}
   (( segid "SF1 " and resid 29   and name HB  ))
   (  segid "SF1 " and resid 71   and name HG2%)
      3.800     1.800     1.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.63884E-03 ppm1      0.528 ppm2      2.952 CV     1
 OR {   41}
   (( segid "SF1 " and resid 76   and name HD1 ))
   (  segid "SF1 " and resid 71   and name HG2%)
 ASSI {   42}
   (( segid "SF1 " and resid 83   and name HA  ))
   (  segid "SF1 " and resid 71   and name HG2%)
      3.300     1.400     1.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      0.529 ppm2      3.713 CV     1
 OR {   42}
   (( segid "SF1 " and resid 29   and name HA  ))
   (  segid "SF1 " and resid 71   and name HG2%)
 ASSI {   45}
   (( segid "SF1 " and resid 30   and name HN  ))
   (  segid "SF1 " and resid 71   and name HG2%)
      3.600     1.600     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.90692E-03 ppm1      0.529 ppm2      7.562 CV     1
 OR {   45}
   (( segid "SF1 " and resid 77   and name HN  ))
   (  segid "SF1 " and resid 71   and name HG2%)
 ASSI {   46}
   (( segid "SF1 " and resid 76   and name HN  ))
   (  segid "SF1 " and resid 71   and name HG2%)
      3.900     1.900     1.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.84420E-03 ppm1      0.532 ppm2      7.966 CV     1
 OR {   46}
   (( segid "SF1 " and resid 86   and name HN  ))
   (  segid "SF1 " and resid 71   and name HG2%)
 ASSI {   49}
   (  segid "SF1 " and resid 97   and name HG1%)
   (  segid "SF1 " and resid 99   and name HB% )
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.17739E-02 ppm1      1.467 ppm2      0.864 CV     1
 OR {   49}
   (  segid "SF1 " and resid 119  and name HD2%)
   (  segid "SF1 " and resid 118  and name HB% )
 ASSI {   51}
   (( segid "SF1 " and resid 99   and name HA  ))
   (  segid "SF1 " and resid 99   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.11978E-01 ppm1      1.468 ppm2      4.138 CV     1
 OR {   51}
   (( segid "SF1 " and resid 118  and name HA  ))
   (  segid "SF1 " and resid 118  and name HB% )
 ASSI {   53}
   (( segid "SF1 " and resid 119  and name HN  ))
   (  segid "SF1 " and resid 118  and name HB% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.78717E-02 ppm1      1.468 ppm2      7.950 CV     1
 OR {   53}
   (( segid "SF1 " and resid 100  and name HN  ))
   (  segid "SF1 " and resid 99   and name HB% )
 ASSI {   55}
   (( segid "SF1 " and resid 117  and name HN  ))
   (  segid "SF1 " and resid 118  and name HB% )
      4.400     2.500     1.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.56470E-03 ppm1      1.461 ppm2      8.224 CV     1
 OR {   55}
   (( segid "SF1 " and resid 116  and name HN  ))
   (  segid "SF1 " and resid 118  and name HB% )
 ASSI {   59}
   (( segid "SF1 " and resid 52   and name HB2 ))
   (( segid "SF1 " and resid 49   and name HA2 ))
      3.300     1.300     1.300 peak    59 spectrum    1 weight  0.10000E+01 volume  0.79855E-03 ppm1      3.533 ppm2      1.794 CV     1
 OR {   59}
   (( segid "SF1 " and resid 48   and name HG1 ))
   (( segid "SF1 " and resid 49   and name HA2 ))
 ASSI {   73}
   (( segid "SF1 " and resid 33   and name HA  ))
   (  segid "SF1 " and resid 34   and name HG1%)
      3.700     1.700     1.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.82709E-03 ppm1      0.689 ppm2      4.223 CV     1
 OR {   73}
   (( segid "SF1 " and resid 25   and name HA  ))
   (  segid "SF1 " and resid 34   and name HG1%)
 OR {   73}
   (( segid "SF1 " and resid 27   and name HA  ))
   (  segid "SF1 " and resid 34   and name HG1%)
 ASSI {   78}
   (( segid "SF1 " and resid 26   and name HN  ))
   (  segid "SF1 " and resid 34   and name HG1%)
      3.500     1.500     1.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.98680E-03 ppm1      0.688 ppm2      8.037 CV     1
 OR {   78}
   (( segid "SF1 " and resid 43   and name HN  ))
   (  segid "SF1 " and resid 34   and name HG1%)
 ASSI {   81}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (  segid "SF1 " and resid 90   and name HG2%)
      3.400     1.400     1.400 peak    81 spectrum    1 weight  0.10000E+01 volume  0.16142E-02 ppm1      0.907 ppm2      1.447 CV     1
 OR {   81}
   (( segid "SF1 " and resid 41   and name HG  ))
   (  segid "SF1 " and resid 90   and name HG2%)
 ASSI {   82}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (  segid "SF1 " and resid 90   and name HG2%)
      2.600     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.53159E-02 ppm1      0.905 ppm2      1.865 CV     1
 OR {   82}
   (( segid "SF1 " and resid 92   and name HG2 ))
   (  segid "SF1 " and resid 90   and name HG2%)
 ASSI {   83}
   (( segid "SF1 " and resid 90   and name HB  ))
   (  segid "SF1 " and resid 90   and name HG2%)
      2.000     0.500     0.500 peak    83 spectrum    1 weight  0.10000E+01 volume  0.11009E-01 ppm1      0.907 ppm2      2.329 CV     1
 OR {   83}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (  segid "SF1 " and resid 90   and name HG2%)
 ASSI {   85}
   (( segid "SF1 " and resid 29   and name HA  ))
   (  segid "SF1 " and resid 90   and name HG2%)
      3.600     1.600     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11123E-02 ppm1      0.908 ppm2      3.696 CV     1
 OR {   85}
   (( segid "SF1 " and resid 87   and name HB1 ))
   (  segid "SF1 " and resid 90   and name HG2%)
 ASSI {   98}
   (( segid "SF1 " and resid 92   and name HG2 ))
   (  segid "SF1 " and resid 43   and name HG2%)
      2.700     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.28919E-02 ppm1      1.336 ppm2      1.854 CV     1
 OR {   98}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (  segid "SF1 " and resid 43   and name HG2%)
 ASSI {  104}
   (( segid "SF1 " and resid 38   and name HB1 ))
   (  segid "SF1 " and resid 43   and name HG2%)
      5.000     3.200     1.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.26695E-03 ppm1      1.338 ppm2      3.635 CV     1
 OR {  104}
   (( segid "SF1 " and resid 44   and name HB1 ))
   (  segid "SF1 " and resid 43   and name HG2%)
 OR {  104}
   (( segid "SF1 " and resid 39   and name HA  ))
   (  segid "SF1 " and resid 43   and name HG2%)
 ASSI {  109}
   (( segid "SF1 " and resid 42   and name HN  ))
   (  segid "SF1 " and resid 43   and name HG2%)
      3.900     1.900     1.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.47001E-03 ppm1      1.339 ppm2      8.150 CV     1
 OR {  109}
   (( segid "SF1 " and resid 124  and name HN  ))
   (( segid "SF1 " and resid 125  and name HB2 ))
 OR {  109}
   (( segid "SF1 " and resid 124  and name HN  ))
   (( segid "SF1 " and resid 125  and name HB3 ))
 ASSI {  111}
   (  segid "SF1 " and resid 97   and name HG2%)
   (  segid "SF1 " and resid 96   and name HB% )
      3.300     1.400     1.400 peak   111 spectrum    1 weight  0.10000E+01 volume  0.70160E-03 ppm1      1.801 ppm2      0.636 CV     1
 OR {  111}
   (( segid "SF1 " and resid 92   and name HB2 ))
   (  segid "SF1 " and resid 96   and name HB% )
 ASSI {  119}
   (  segid "SF1 " and resid 39   and name HE% )
   (  segid "SF1 " and resid 96   and name HB% )
      2.700     0.900     0.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.40727E-02 ppm1      1.802 ppm2      7.116 CV     1
 OR {  119}
   (  segid "SF1 " and resid 109  and name HD% )
   (  segid "SF1 " and resid 96   and name HB% )
 ASSI {  120}
   (( segid "SF1 " and resid 96   and name HN  ))
   (  segid "SF1 " and resid 96   and name HB% )
      2.400     0.700     0.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.57612E-02 ppm1      1.802 ppm2      7.736 CV     1
 OR {  120}
   (( segid "SF1 " and resid 97   and name HN  ))
   (  segid "SF1 " and resid 96   and name HB% )
 ASSI {  127}
   (( segid "SF1 " and resid 41   and name HB1 ))
   (  segid "SF1 " and resid 90   and name HG1%)
      3.200     1.200     1.200 peak   127 spectrum    1 weight  0.10000E+01 volume  0.15743E-02 ppm1      0.922 ppm2      1.742 CV     1
 OR {  127}
   (( segid "SF1 " and resid 86   and name HD2 ))
   (  segid "SF1 " and resid 90   and name HG1%)
 ASSI {  136}
   (( segid "SF1 " and resid 92   and name HN  ))
   (  segid "SF1 " and resid 90   and name HG1%)
      3.900     1.900     1.900 peak   136 spectrum    1 weight  0.10000E+01 volume  0.29718E-03 ppm1      0.916 ppm2      7.973 CV     1
 OR {  136}
   (( segid "SF1 " and resid 86   and name HN  ))
   (  segid "SF1 " and resid 90   and name HG1%)
 ASSI {  142}
   (( segid "SF1 " and resid 59   and name HD1 ))
   (  segid "SF1 " and resid 54   and name HG2%)
      3.800     1.800     1.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.97537E-03 ppm1     -0.142 ppm2      1.558 CV     1
 OR {  142}
   (( segid "SF1 " and resid 59   and name HD2 ))
   (  segid "SF1 " and resid 54   and name HG2%)
 OR {  142}
   (( segid "SF1 " and resid 55   and name HB  ))
   (  segid "SF1 " and resid 54   and name HG2%)
 ASSI {  152}
   (( segid "SF1 " and resid 55   and name HN  ))
   (  segid "SF1 " and resid 54   and name HG2%)
      3.300     1.400     1.400 peak   152 spectrum    1 weight  0.10000E+01 volume  0.24014E-02 ppm1     -0.146 ppm2      7.613 CV     1
 OR {  152}
   (( segid "SF1 " and resid 54   and name HN  ))
   (  segid "SF1 " and resid 54   and name HG2%)
 ASSI {  180}
   (( segid "SF1 " and resid 110  and name HA1 ))
   (( segid "SF1 " and resid 111  and name HD1 ))
      3.500     1.500     1.500 peak   180 spectrum    1 weight  0.10000E+01 volume  0.41525E-03 ppm1      3.616 ppm2      4.161 CV     1
 OR {  180}
   (( segid "SF1 " and resid 111  and name HA  ))
   (( segid "SF1 " and resid 111  and name HD1 ))
 ASSI {  184}
   (( segid "SF1 " and resid 94   and name HB1 ))
   (  segid "SF1 " and resid 55   and name HG1%)
      3.100     1.200     1.200 peak   184 spectrum    1 weight  0.10000E+01 volume  0.22074E-02 ppm1      0.768 ppm2      1.830 CV     1
 OR {  184}
   (( segid "SF1 " and resid 52   and name HB2 ))
   (  segid "SF1 " and resid 55   and name HG1%)
 OR {  184}
   (  segid "SF1 " and resid 96   and name HB% )
   (  segid "SF1 " and resid 55   and name HG1%)
 ASSI {  189}
   (( segid "SF1 " and resid 94   and name HA  ))
   (  segid "SF1 " and resid 55   and name HG1%)
      4.100     2.100     1.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.37817E-03 ppm1      0.763 ppm2      4.019 CV     1
 OR {  189}
   (( segid "SF1 " and resid 54   and name HG1 ))
   (  segid "SF1 " and resid 55   and name HG1%)
 ASSI {  192}
   (  segid "SF1 " and resid 84   and name HE% )
   (  segid "SF1 " and resid 55   and name HG1%)
      3.700     1.800     1.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.59892E-03 ppm1      0.768 ppm2      7.055 CV     1
 OR {  192}
   (  segid "SF1 " and resid 51   and name HD% )
   (  segid "SF1 " and resid 55   and name HG1%)
 ASSI {  204}
   (  segid "SF1 " and resid 96   and name HB% )
   (  segid "SF1 " and resid 97   and name HG1%)
      2.900     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.33083E-02 ppm1      0.820 ppm2      1.777 CV     1
 OR {  204}
   (( segid "SF1 " and resid 52   and name HD1 ))
   (  segid "SF1 " and resid 97   and name HG1%)
 OR {  204}
   (( segid "SF1 " and resid 94   and name HB1 ))
   (  segid "SF1 " and resid 97   and name HG1%)
 ASSI {  227}
   (( segid "SF1 " and resid 65   and name HG1 ))
   (  segid "SF1 " and resid 64   and name HG2%)
      3.600     1.600     1.600 peak   227 spectrum    1 weight  0.10000E+01 volume  0.63315E-03 ppm1      1.241 ppm2      2.348 CV     1
 OR {  227}
   (( segid "SF1 " and resid 90   and name HB  ))
   (  segid "SF1 " and resid 89   and name HG2%)
 ASSI {  229}
   (( segid "SF1 " and resid 85   and name HA  ))
   (  segid "SF1 " and resid 89   and name HG2%)
      4.300     2.400     1.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.43750E-03 ppm1      1.231 ppm2      3.749 CV     1
 OR {  229}
   (( segid "SF1 " and resid 87   and name HB1 ))
   (  segid "SF1 " and resid 89   and name HG2%)
 OR {  229}
   (( segid "SF1 " and resid 83   and name HA  ))
   (  segid "SF1 " and resid 89   and name HG2%)
 ASSI {  230}
   (( segid "SF1 " and resid 89   and name HB  ))
   (  segid "SF1 " and resid 89   and name HG2%)
      2.700     0.900     0.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.29889E-02 ppm1      1.240 ppm2      4.298 CV     1
 OR {  230}
   (( segid "SF1 " and resid 64   and name HA  ))
   (  segid "SF1 " and resid 64   and name HG2%)
 ASSI {  233}
   (( segid "SF1 " and resid 64   and name HN  ))
   (  segid "SF1 " and resid 64   and name HG2%)
      2.800     1.000     1.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.39300E-02 ppm1      1.247 ppm2      9.301 CV     1
 OR {  233}
   (( segid "SF1 " and resid 65   and name HN  ))
   (  segid "SF1 " and resid 64   and name HG2%)
 ASSI {  245}
   (( segid "SF1 " and resid 52   and name HB2 ))
   (  segid "SF1 " and resid 55   and name HG2%)
      4.200     2.200     1.800 peak   245 spectrum    1 weight  0.10000E+01 volume  0.47172E-03 ppm1      0.257 ppm2      1.856 CV     1
 OR {  245}
   (( segid "SF1 " and resid 94   and name HG  ))
   (  segid "SF1 " and resid 55   and name HG2%)
 ASSI {  246}
   (( segid "SF1 " and resid 97   and name HB  ))
   (  segid "SF1 " and resid 55   and name HG2%)
      3.900     1.900     1.900 peak   246 spectrum    1 weight  0.10000E+01 volume  0.61035E-03 ppm1      0.256 ppm2      2.102 CV     1
 OR {  246}
   (( segid "SF1 " and resid 56   and name HG2 ))
   (  segid "SF1 " and resid 55   and name HG2%)
 ASSI {  249}
   (( segid "SF1 " and resid 94   and name HA  ))
   (  segid "SF1 " and resid 55   and name HG2%)
      4.500     2.600     1.500 peak   249 spectrum    1 weight  0.10000E+01 volume  0.31942E-03 ppm1      0.252 ppm2      4.031 CV     1
 OR {  249}
   (( segid "SF1 " and resid 54   and name HG1 ))
   (  segid "SF1 " and resid 55   and name HG2%)
 ASSI {  252}
   (( segid "SF1 " and resid 84   and name HZ  ))
   (  segid "SF1 " and resid 55   and name HG2%)
      3.100     1.200     1.200 peak   252 spectrum    1 weight  0.10000E+01 volume  0.21162E-02 ppm1      0.256 ppm2      6.870 CV     1
 OR {  252}
   (  segid "SF1 " and resid 39   and name HD% )
   (  segid "SF1 " and resid 55   and name HG2%)
 ASSI {  260}
   (( segid "SF1 " and resid 34   and name HB  ))
   (  segid "SF1 " and resid 34   and name HG2%)
      2.300     0.600     0.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.75863E-02 ppm1      0.620 ppm2      1.840 CV     1
 OR {  260}
   (( segid "SF1 " and resid 25   and name HB2 ))
   (  segid "SF1 " and resid 34   and name HG2%)
 ASSI {  265}
   (( segid "SF1 " and resid 94   and name HA  ))
   (  segid "SF1 " and resid 97   and name HG2%)
      4.100     2.100     1.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.41354E-03 ppm1      0.637 ppm2      4.021 CV     1
 OR {  265}
   (( segid "SF1 " and resid 28   and name HD2 ))
   (  segid "SF1 " and resid 34   and name HG2%)
 ASSI {  267}
   (( segid "SF1 " and resid 26   and name HN  ))
   (  segid "SF1 " and resid 34   and name HG2%)
      3.700     1.700     1.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.76432E-03 ppm1      0.609 ppm2      8.025 CV     1
 OR {  267}
   (( segid "SF1 " and resid 25   and name HN  ))
   (  segid "SF1 " and resid 34   and name HG2%)
 ASSI {  278}
   (( segid "SF1 " and resid 33   and name HA  ))
   (  segid "SF1 " and resid 26   and name HD2%)
      3.300     1.400     1.400 peak   278 spectrum    1 weight  0.10000E+01 volume  0.95257E-03 ppm1      0.724 ppm2      4.232 CV     1
 OR {  278}
   (( segid "SF1 " and resid 25   and name HA  ))
   (  segid "SF1 " and resid 26   and name HD2%)
 ASSI {  285}
   (( segid "SF1 " and resid 51   and name HZ  ))
   (  segid "SF1 " and resid 97   and name HG2%)
      3.800     1.800     1.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.10210E-02 ppm1      0.633 ppm2      6.697 CV     1
 OR {  285}
   (  segid "SF1 " and resid 37   and name HD% )
   (  segid "SF1 " and resid 34   and name HG2%)
 ASSI {  288}
   (  segid "SF1 " and resid 39   and name HE% )
   (  segid "SF1 " and resid 97   and name HG2%)
      3.200     1.300     1.300 peak   288 spectrum    1 weight  0.10000E+01 volume  0.14260E-02 ppm1      0.639 ppm2      7.079 CV     1
 OR {  288}
   (  segid "SF1 " and resid 51   and name HD% )
   (  segid "SF1 " and resid 97   and name HG2%)
 ASSI {  299}
   (( segid "SF1 " and resid 84   and name HZ  ))
   (  segid "SF1 " and resid 88   and name HD1%)
      2.700     0.900     0.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.34395E-02 ppm1      0.787 ppm2      6.879 CV     1
 OR {  299}
   (( segid "SF1 " and resid 85   and name HE22))
   (  segid "SF1 " and resid 88   and name HD1%)
 ASSI {  302}
   (( segid "SF1 " and resid 94   and name HN  ))
   (  segid "SF1 " and resid 88   and name HD1%)
      3.700     1.700     1.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.98111E-03 ppm1      0.797 ppm2      8.838 CV     1
 OR {  302}
   (( segid "SF1 " and resid 56   and name HN  ))
   (  segid "SF1 " and resid 97   and name HG1%)
 ASSI {  312}
   (( segid "SF1 " and resid 30   and name HB2 ))
   (  segid "SF1 " and resid 29   and name HG2%)
      3.500     1.500     1.500 peak   312 spectrum    1 weight  0.10000E+01 volume  0.20021E-02 ppm1      0.845 ppm2      1.973 CV     1
 OR {  312}
   (( segid "SF1 " and resid 71   and name HB  ))
   (  segid "SF1 " and resid 29   and name HG2%)
 ASSI {  314}
   (( segid "SF1 " and resid 83   and name HD1 ))
   (  segid "SF1 " and resid 29   and name HG2%)
      3.800     1.800     1.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.60461E-03 ppm1      0.846 ppm2      2.343 CV     1
 OR {  314}
   (( segid "SF1 " and resid 90   and name HB  ))
   (  segid "SF1 " and resid 29   and name HG2%)
 ASSI {  319}
   (( segid "SF1 " and resid 76   and name HA  ))
   (  segid "SF1 " and resid 29   and name HG2%)
      4.300     2.300     1.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.45061E-03 ppm1      0.843 ppm2      3.916 CV     1
 OR {  319}
   (( segid "SF1 " and resid 48   and name HA  ))
   (  segid "SF1 " and resid 29   and name HG2%)
 OR {  319}
   (( segid "SF1 " and resid 89   and name HA  ))
   (  segid "SF1 " and resid 29   and name HG2%)
 ASSI {  321}
   (( segid "SF1 " and resid 73   and name HD2 ))
   (  segid "SF1 " and resid 74   and name HG2%)
      2.800     2.800     3.200 peak   321 spectrum    1 weight  0.10000E+01 volume  0.22588E-02 ppm1      1.194 ppm2      1.585 CV     1
 OR {  321}
   (( segid "SF1 " and resid 13   and name HB2 ))
   (  segid "SF1 " and resid 15   and name HG2%)
 OR {  321}
   (( segid "SF1 " and resid 13   and name HG  ))
   (  segid "SF1 " and resid 15   and name HG2%)
 OR {  321}
   (( segid "SF1 " and resid 13   and name HB1 ))
   (  segid "SF1 " and resid 15   and name HG2%)
 ASSI {  332}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 28   and name HD1 ))
      3.900     1.900     1.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.37874E-03 ppm1      4.424 ppm2      0.640 CV     1
 OR {  332}
   (  segid "SF1 " and resid 42   and name HD1%)
   (( segid "SF1 " and resid 28   and name HD1 ))
 ASSI {  358}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (  segid "SF1 " and resid 29   and name HG1%)
      3.100     1.200     1.200 peak   358 spectrum    1 weight  0.10000E+01 volume  0.33995E-02 ppm1      0.994 ppm2      1.865 CV     1
 OR {  358}
   (( segid "SF1 " and resid 86   and name HB2 ))
   (  segid "SF1 " and resid 29   and name HG1%)
 ASSI {  361}
   (( segid "SF1 " and resid 90   and name HB  ))
   (  segid "SF1 " and resid 29   and name HG1%)
      3.200     1.300     1.300 peak   361 spectrum    1 weight  0.10000E+01 volume  0.13689E-02 ppm1      0.997 ppm2      2.326 CV     1
 OR {  361}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (  segid "SF1 " and resid 29   and name HG1%)
 ASSI {  369}
   (( segid "SF1 " and resid 52   and name HD2 ))
   (( segid "SF1 " and resid 48   and name HG2 ))
      3.300     1.400     1.400 peak   369 spectrum    1 weight  0.10000E+01 volume  0.17910E-02 ppm1      0.864 ppm2      1.454 CV     1
 OR {  369}
   (  segid "SF1 " and resid 118  and name HB% )
   (  segid "SF1 " and resid 119  and name HD2%)
 ASSI {  372}
   (( segid "SF1 " and resid 48   and name HG1 ))
   (( segid "SF1 " and resid 48   and name HG2 ))
      2.000     0.500     0.500 peak   372 spectrum    1 weight  0.10000E+01 volume  0.71872E-02 ppm1      0.863 ppm2      1.746 CV     1
 OR {  372}
   (( segid "SF1 " and resid 119  and name HG  ))
   (  segid "SF1 " and resid 119  and name HD2%)
 ASSI {  375}
   (( segid "SF1 " and resid 120  and name HN  ))
   (  segid "SF1 " and resid 119  and name HD2%)
      3.100     1.200     1.200 peak   375 spectrum    1 weight  0.10000E+01 volume  0.53961E-03 ppm1      0.864 ppm2      7.875 CV     1
 OR {  375}
   (( segid "SF1 " and resid 121  and name HN  ))
   (  segid "SF1 " and resid 119  and name HD2%)
 ASSI {  386}
   (( segid "SF1 " and resid 108  and name HN  ))
   (( segid "SF1 " and resid 108  and name HG2 ))
      3.200     1.300     1.300 peak   386 spectrum    1 weight  0.10000E+01 volume  0.11750E-02 ppm1      0.672 ppm2      8.159 CV     1
 OR {  386}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 108  and name HG2 ))
 ASSI {  387}
   (( segid "SF1 " and resid 108  and name HN  ))
   (( segid "SF1 " and resid 108  and name HG1 ))
      3.200     1.300     1.300 peak   387 spectrum    1 weight  0.10000E+01 volume  0.16998E-02 ppm1      1.080 ppm2      8.168 CV     1
 OR {  387}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 108  and name HG1 ))
 ASSI {  391}
   (( segid "SF1 " and resid 58   and name HD22))
   (( segid "SF1 " and resid 58   and name HA  ))
      4.400     2.400     1.600 peak   391 spectrum    1 weight  0.10000E+01 volume  0.68449E-03 ppm1      4.130 ppm2      6.772 CV     1
 OR {  391}
   (( segid "SF1 " and resid 57   and name HN  ))
   (( segid "SF1 " and resid 58   and name HA  ))
 ASSI {  402}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 118  and name HA  ))
      3.200     1.200     1.200 peak   402 spectrum    1 weight  0.10000E+01 volume  0.14032E-02 ppm1      4.160 ppm2      7.864 CV     1
 OR {  402}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 118  and name HA  ))
 OR {  402}
   (( segid "SF1 " and resid 122  and name HN  ))
   (( segid "SF1 " and resid 118  and name HA  ))
 ASSI {  407}
   (( segid "SF1 " and resid 117  and name HG1 ))
   (( segid "SF1 " and resid 118  and name HA  ))
      4.500     2.500     1.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.33026E-03 ppm1      4.162 ppm2      1.853 CV     1
 OR {  407}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (( segid "SF1 " and resid 118  and name HA  ))
 OR {  407}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 118  and name HA  ))
 OR {  407}
   (( segid "SF1 " and resid 120  and name HB1 ))
   (( segid "SF1 " and resid 118  and name HA  ))
 OR {  407}
   (( segid "SF1 " and resid 119  and name HB1 ))
   (( segid "SF1 " and resid 118  and name HA  ))
 ASSI {  409}
   (( segid "SF1 " and resid 123  and name HD1 ))
   (( segid "SF1 " and resid 123  and name HG1 ))
      1.700     0.400     0.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.45118E-01 ppm1      1.500 ppm2      1.704 CV     1
 OR {  409}
   (( segid "SF1 " and resid 33   and name HD2 ))
   (( segid "SF1 " and resid 33   and name HG1 ))
 OR {  409}
   (( segid "SF1 " and resid 33   and name HD1 ))
   (( segid "SF1 " and resid 33   and name HG2 ))
 OR {  409}
   (( segid "SF1 " and resid 123  and name HD2 ))
   (( segid "SF1 " and resid 123  and name HG2 ))
 OR {  409}
   (( segid "SF1 " and resid 33   and name HB2 ))
   (( segid "SF1 " and resid 33   and name HG2 ))
 OR {  409}
   (( segid "SF1 " and resid 33   and name HB2 ))
   (( segid "SF1 " and resid 33   and name HG1 ))
 OR {  409}
   (( segid "SF1 " and resid 123  and name HD1 ))
   (( segid "SF1 " and resid 123  and name HG2 ))
 OR {  409}
   (( segid "SF1 " and resid 123  and name HD2 ))
   (( segid "SF1 " and resid 123  and name HG1 ))
 ASSI {  410}
   (( segid "SF1 " and resid 123  and name HE2 ))
   (( segid "SF1 " and resid 123  and name HG2 ))
      2.900     1.000     1.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.28406E-02 ppm1      1.503 ppm2      3.023 CV     1
 OR {  410}
   (( segid "SF1 " and resid 123  and name HE1 ))
   (( segid "SF1 " and resid 123  and name HG2 ))
 OR {  410}
   (( segid "SF1 " and resid 33   and name HE2 ))
   (( segid "SF1 " and resid 33   and name HG2 ))
 OR {  410}
   (( segid "SF1 " and resid 123  and name HE2 ))
   (( segid "SF1 " and resid 123  and name HG1 ))
 OR {  410}
   (( segid "SF1 " and resid 33   and name HE1 ))
   (( segid "SF1 " and resid 33   and name HG2 ))
 OR {  410}
   (( segid "SF1 " and resid 33   and name HE2 ))
   (( segid "SF1 " and resid 33   and name HG1 ))
 OR {  410}
   (( segid "SF1 " and resid 123  and name HE1 ))
   (( segid "SF1 " and resid 123  and name HG1 ))
 ASSI {  411}
   (( segid "SF1 " and resid 33   and name HB1 ))
   (( segid "SF1 " and resid 33   and name HG1 ))
      1.900     0.400     0.400 peak   411 spectrum    1 weight  0.10000E+01 volume  0.25782E-01 ppm1      1.499 ppm2      1.804 CV     1
 OR {  411}
   (( segid "SF1 " and resid 123  and name HB1 ))
   (( segid "SF1 " and resid 123  and name HG2 ))
 OR {  411}
   (( segid "SF1 " and resid 123  and name HB2 ))
   (( segid "SF1 " and resid 123  and name HG1 ))
 OR {  411}
   (( segid "SF1 " and resid 123  and name HB2 ))
   (( segid "SF1 " and resid 123  and name HG2 ))
 OR {  411}
   (( segid "SF1 " and resid 123  and name HB1 ))
   (( segid "SF1 " and resid 123  and name HG1 ))
 ASSI {  456}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 73   and name HG2 ))
      4.500     2.500     1.500 peak   456 spectrum    1 weight  0.10000E+01 volume  0.19165E-03 ppm1      1.386 ppm2      8.645 CV     1
 OR {  456}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 77   and name HG1 ))
 ASSI {  469}
   (( segid "SF1 " and resid 100  and name HN  ))
   (( segid "SF1 " and resid 99   and name HA  ))
      3.200     1.300     1.300 peak   469 spectrum    1 weight  0.10000E+01 volume  0.15230E-02 ppm1      4.148 ppm2      7.942 CV     1
 OR {  469}
   (( segid "SF1 " and resid 119  and name HN  ))
   (( segid "SF1 " and resid 118  and name HA  ))
 ASSI {  504}
   (( segid "SF1 " and resid 73   and name HB2 ))
   (( segid "SF1 " and resid 73   and name HG1 ))
      1.900     0.500     0.500 peak   504 spectrum    1 weight  0.10000E+01 volume  0.25440E-01 ppm1      1.369 ppm2      1.780 CV     1
 OR {  504}
   (( segid "SF1 " and resid 114  and name HB1 ))
   (( segid "SF1 " and resid 114  and name HG2 ))
 OR {  504}
   (( segid "SF1 " and resid 73   and name HB1 ))
   (( segid "SF1 " and resid 73   and name HG2 ))
 OR {  504}
   (( segid "SF1 " and resid 73   and name HB1 ))
   (( segid "SF1 " and resid 73   and name HG1 ))
 OR {  504}
   (( segid "SF1 " and resid 73   and name HB2 ))
   (( segid "SF1 " and resid 73   and name HG2 ))
 OR {  504}
   (( segid "SF1 " and resid 114  and name HB2 ))
   (( segid "SF1 " and resid 114  and name HG2 ))
 OR {  504}
   (( segid "SF1 " and resid 77   and name HB1 ))
   (( segid "SF1 " and resid 77   and name HG1 ))
 ASSI {  508}
   (( segid "SF1 " and resid 115  and name HD2 ))
   (  segid "SF1 " and resid 119  and name HD1%)
      3.400     1.400     1.400 peak   508 spectrum    1 weight  0.10000E+01 volume  0.47115E-03 ppm1      0.910 ppm2      3.168 CV     1
 OR {  508}
   (( segid "SF1 " and resid 115  and name HD1 ))
   (  segid "SF1 " and resid 119  and name HD1%)
 OR {  508}
   (( segid "SF1 " and resid 39   and name HB1 ))
   (  segid "SF1 " and resid 94   and name HD2%)
 OR {  508}
   (( segid "SF1 " and resid 54   and name HA  ))
   (  segid "SF1 " and resid 94   and name HD2%)
 ASSI {  529}
   (( segid "SF1 " and resid 92   and name HG2 ))
   (  segid "SF1 " and resid 41   and name HD2%)
      2.800     1.000     1.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.28520E-02 ppm1      0.703 ppm2      1.873 CV     1
 OR {  529}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (  segid "SF1 " and resid 41   and name HD2%)
 ASSI {  541}
   (( segid "SF1 " and resid 25   and name HB1 ))
   (  segid "SF1 " and resid 42   and name HD1%)
      3.400     1.400     1.400 peak   541 spectrum    1 weight  0.10000E+01 volume  0.11693E-02 ppm1      0.598 ppm2      1.963 CV     1
 OR {  541}
   (( segid "SF1 " and resid 85   and name HB1 ))
   (  segid "SF1 " and resid 88   and name HD2%)
 ASSI {  543}
   (( segid "SF1 " and resid 90   and name HB  ))
   (  segid "SF1 " and resid 41   and name HD2%)
      2.800     1.000     1.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.27893E-02 ppm1      0.702 ppm2      2.318 CV     1
 OR {  543}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (  segid "SF1 " and resid 41   and name HD2%)
 ASSI {  545}
   (( segid "SF1 " and resid 85   and name HA  ))
   (  segid "SF1 " and resid 88   and name HD2%)
      3.600     1.600     1.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.11522E-02 ppm1      0.582 ppm2      3.735 CV     1
 OR {  545}
   (( segid "SF1 " and resid 87   and name HB1 ))
   (  segid "SF1 " and resid 88   and name HD2%)
 ASSI {  547}
   (( segid "SF1 " and resid 84   and name HZ  ))
   (  segid "SF1 " and resid 88   and name HD2%)
      3.300     1.300     1.300 peak   547 spectrum    1 weight  0.10000E+01 volume  0.13233E-02 ppm1      0.582 ppm2      6.893 CV     1
 OR {  547}
   (( segid "SF1 " and resid 85   and name HE22))
   (  segid "SF1 " and resid 88   and name HD2%)
 ASSI {  549}
   (  segid "SF1 " and resid 84   and name HD% )
   (  segid "SF1 " and resid 88   and name HD2%)
      3.600     1.600     1.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.10096E-02 ppm1      0.584 ppm2      7.295 CV     1
 OR {  549}
   (( segid "SF1 " and resid 85   and name HE21))
   (  segid "SF1 " and resid 88   and name HD2%)
 OR {  549}
   (( segid "SF1 " and resid 37   and name HN  ))
   (  segid "SF1 " and resid 42   and name HD1%)
 ASSI {  553}
   (( segid "SF1 " and resid 43   and name HN  ))
   (  segid "SF1 " and resid 42   and name HD1%)
      3.700     1.700     1.700 peak   553 spectrum    1 weight  0.10000E+01 volume  0.31657E-03 ppm1      0.607 ppm2      8.047 CV     1
 OR {  553}
   (( segid "SF1 " and resid 26   and name HN  ))
   (  segid "SF1 " and resid 42   and name HD1%)
 ASSI {  554}
   (  segid "SF1 " and resid 37   and name HD% )
   (  segid "SF1 " and resid 42   and name HD1%)
      3.500     1.600     1.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.78143E-03 ppm1      0.604 ppm2      6.697 CV     1
 OR {  554}
   (  segid "SF1 " and resid 37   and name HE% )
   (  segid "SF1 " and resid 42   and name HD1%)
 OR {  554}
   (( segid "SF1 " and resid 51   and name HZ  ))
   (  segid "SF1 " and resid 88   and name HD2%)
 ASSI {  558}
   (( segid "SF1 " and resid 94   and name HG  ))
   (  segid "SF1 " and resid 94   and name HD2%)
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.10837E-01 ppm1      0.934 ppm2      1.854 CV     1
 OR {  558}
   (( segid "SF1 " and resid 119  and name HB1 ))
   (  segid "SF1 " and resid 119  and name HD1%)
 ASSI {  563}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 120  and name HG1 ))
      3.500     1.500     1.500 peak   563 spectrum    1 weight  0.10000E+01 volume  0.13860E-02 ppm1      1.562 ppm2      7.881 CV     1
 OR {  563}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 120  and name HG1 ))
 ASSI {  564}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 120  and name HG2 ))
      3.400     1.500     1.500 peak   564 spectrum    1 weight  0.10000E+01 volume  0.18081E-02 ppm1      1.436 ppm2      7.875 CV     1
 OR {  564}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 120  and name HG2 ))
 ASSI {  587}
   (( segid "SF1 " and resid 73   and name HE2 ))
   (( segid "SF1 " and resid 73   and name HG2 ))
      2.500     0.800     0.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.65026E-02 ppm1      1.369 ppm2      2.932 CV     1
 OR {  587}
   (( segid "SF1 " and resid 114  and name HE1 ))
   (( segid "SF1 " and resid 114  and name HG2 ))
 OR {  587}
   (( segid "SF1 " and resid 114  and name HE2 ))
   (( segid "SF1 " and resid 114  and name HG2 ))
 OR {  587}
   (( segid "SF1 " and resid 73   and name HE1 ))
   (( segid "SF1 " and resid 73   and name HG2 ))
 OR {  587}
   (( segid "SF1 " and resid 73   and name HE1 ))
   (( segid "SF1 " and resid 73   and name HG1 ))
 ASSI {  590}
   (( segid "SF1 " and resid 93   and name HN  ))
   (  segid "SF1 " and resid 41   and name HD2%)
      4.100     2.200     1.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.28007E-03 ppm1      0.705 ppm2      8.779 CV     1
 OR {  590}
   (( segid "SF1 " and resid 29   and name HN  ))
   (  segid "SF1 " and resid 41   and name HD2%)
 ASSI {  593}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 76   and name HG2 ))
      2.800     1.000     1.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.25896E-02 ppm1      1.154 ppm2      7.561 CV     1
 OR {  593}
   (( segid "SF1 " and resid 88   and name HN  ))
   (( segid "SF1 " and resid 88   and name HG  ))
 ASSI {  605}
   (( segid "SF1 " and resid 93   and name HD1 ))
   (( segid "SF1 " and resid 93   and name HG2 ))
      2.900     1.100     1.100 peak   605 spectrum    1 weight  0.10000E+01 volume  0.20763E-02 ppm1      1.457 ppm2      3.001 CV     1
 OR {  605}
   (( segid "SF1 " and resid 120  and name HE1 ))
   (( segid "SF1 " and resid 120  and name HG2 ))
 OR {  605}
   (( segid "SF1 " and resid 120  and name HE2 ))
   (( segid "SF1 " and resid 120  and name HG2 ))
 ASSI {  607}
   (  segid "SF1 " and resid 88   and name HD1%)
   (  segid "SF1 " and resid 94   and name HD1%)
      3.200     1.300     1.300 peak   607 spectrum    1 weight  0.10000E+01 volume  0.12834E-02 ppm1      1.006 ppm2      0.777 CV     1
 OR {  607}
   (  segid "SF1 " and resid 55   and name HG1%)
   (  segid "SF1 " and resid 94   and name HD1%)
 ASSI {  617}
   (( segid "SF1 " and resid 76   and name HB1 ))
   (( segid "SF1 " and resid 76   and name HG2 ))
      2.400     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.48769E-02 ppm1      1.156 ppm2      1.798 CV     1
 OR {  617}
   (( segid "SF1 " and resid 88   and name HB1 ))
   (( segid "SF1 " and resid 88   and name HG  ))
 ASSI {  618}
   (( segid "SF1 " and resid 76   and name HG1 ))
   (( segid "SF1 " and resid 76   and name HG2 ))
      1.900     0.400     0.400 peak   618 spectrum    1 weight  0.10000E+01 volume  0.71872E-02 ppm1      1.138 ppm2      1.696 CV     1
 OR {  618}
   (( segid "SF1 " and resid 42   and name HB1 ))
   (( segid "SF1 " and resid 42   and name HG  ))
 ASSI {  619}
   (( segid "SF1 " and resid 88   and name HB2 ))
   (( segid "SF1 " and resid 88   and name HG  ))
      2.300     0.700     0.700 peak   619 spectrum    1 weight  0.10000E+01 volume  0.79855E-02 ppm1      1.163 ppm2      1.336 CV     1
 OR {  619}
   (( segid "SF1 " and resid 77   and name HG1 ))
   (( segid "SF1 " and resid 76   and name HG2 ))
 ASSI {  640}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 86   and name HG2 ))
      2.500     0.800     0.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.66164E-02 ppm1      1.470 ppm2      0.905 CV     1
 OR {  640}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 86   and name HG1 ))
 OR {  640}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 86   and name HG1 ))
 OR {  640}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 86   and name HG2 ))
 ASSI {  642}
   (( segid "SF1 " and resid 86   and name HD2 ))
   (( segid "SF1 " and resid 86   and name HG1 ))
      2.200     0.600     0.600 peak   642 spectrum    1 weight  0.10000E+01 volume  0.10438E-01 ppm1      1.451 ppm2      1.737 CV     1
 OR {  642}
   (( segid "SF1 " and resid 86   and name HD2 ))
   (( segid "SF1 " and resid 86   and name HG2 ))
 OR {  642}
   (( segid "SF1 " and resid 41   and name HB1 ))
   (( segid "SF1 " and resid 41   and name HG  ))
 ASSI {  643}
   (  segid "SF1 " and resid 41   and name HD1%)
   (( segid "SF1 " and resid 41   and name HG  ))
      2.300     0.700     0.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.65026E-02 ppm1      1.442 ppm2      0.743 CV     1
 OR {  643}
   (  segid "SF1 " and resid 18   and name HD2%)
   (( segid "SF1 " and resid 18   and name HG  ))
 ASSI {  653}
   (( segid "SF1 " and resid 121  and name HB2 ))
   (( segid "SF1 " and resid 121  and name HA  ))
      2.100     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.13404E-01 ppm1      4.230 ppm2      2.031 CV     1
 OR {  653}
   (( segid "SF1 " and resid 122  and name HB2 ))
   (( segid "SF1 " and resid 122  and name HA  ))
 OR {  653}
   (( segid "SF1 " and resid 121  and name HB1 ))
   (( segid "SF1 " and resid 121  and name HA  ))
 ASSI {  654}
   (( segid "SF1 " and resid 122  and name HG2 ))
   (( segid "SF1 " and resid 122  and name HA  ))
      2.500     0.800     0.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.59892E-02 ppm1      4.229 ppm2      2.386 CV     1
 OR {  654}
   (( segid "SF1 " and resid 121  and name HG2 ))
   (( segid "SF1 " and resid 121  and name HA  ))
 ASSI {  655}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 33   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.88980E-02 ppm1      4.241 ppm2      0.703 CV     1
 OR {  655}
   (  segid "SF1 " and resid 34   and name HG1%)
   (( segid "SF1 " and resid 33   and name HA  ))
 ASSI {  657}
   (( segid "SF1 " and resid 123  and name HB2 ))
   (( segid "SF1 " and resid 123  and name HA  ))
      2.000     0.500     0.500 peak   657 spectrum    1 weight  0.10000E+01 volume  0.21276E-01 ppm1      4.240 ppm2      1.802 CV     1
 OR {  657}
   (( segid "SF1 " and resid 123  and name HB1 ))
   (( segid "SF1 " and resid 123  and name HA  ))
 OR {  657}
   (( segid "SF1 " and resid 98   and name HB2 ))
   (( segid "SF1 " and resid 98   and name HA  ))
 OR {  657}
   (( segid "SF1 " and resid 33   and name HB1 ))
   (( segid "SF1 " and resid 33   and name HA  ))
 OR {  657}
   (( segid "SF1 " and resid 25   and name HB2 ))
   (( segid "SF1 " and resid 25   and name HA  ))
 ASSI {  658}
   (( segid "SF1 " and resid 123  and name HG1 ))
   (( segid "SF1 " and resid 123  and name HA  ))
      2.600     0.900     0.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.47172E-02 ppm1      4.242 ppm2      1.493 CV     1
 OR {  658}
   (( segid "SF1 " and resid 33   and name HG2 ))
   (( segid "SF1 " and resid 33   and name HA  ))
 OR {  658}
   (( segid "SF1 " and resid 123  and name HG2 ))
   (( segid "SF1 " and resid 123  and name HA  ))
 OR {  658}
   (( segid "SF1 " and resid 33   and name HG1 ))
   (( segid "SF1 " and resid 33   and name HA  ))
 ASSI {  666}
   (( segid "SF1 " and resid 122  and name HN  ))
   (( segid "SF1 " and resid 122  and name HA  ))
      2.300     0.700     0.700 peak   666 spectrum    1 weight  0.10000E+01 volume  0.82709E-02 ppm1      4.219 ppm2      7.884 CV     1
 OR {  666}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 121  and name HA  ))
 OR {  666}
   (( segid "SF1 " and resid 122  and name HN  ))
   (( segid "SF1 " and resid 121  and name HA  ))
 ASSI {  668}
   (( segid "SF1 " and resid 124  and name HN  ))
   (( segid "SF1 " and resid 123  and name HA  ))
      2.200     0.600     0.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.99248E-02 ppm1      4.262 ppm2      8.134 CV     1
 OR {  668}
   (( segid "SF1 " and resid 124  and name HN  ))
   (( segid "SF1 " and resid 124  and name HA  ))
 ASSI {  683}
   (( segid "SF1 " and resid 78   and name HN  ))
   (( segid "SF1 " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   683 spectrum    1 weight  0.10000E+01 volume  0.15173E-02 ppm1      4.438 ppm2      7.579 CV     1
 OR {  683}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 75   and name HA  ))
 ASSI {  684}
   (( segid "SF1 " and resid 76   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HA  ))
      4.600     2.700     1.400 peak   684 spectrum    1 weight  0.10000E+01 volume  0.32285E-03 ppm1      4.431 ppm2      1.184 CV     1
 OR {  684}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 75   and name HA  ))
 ASSI {  687}
   (( segid "SF1 " and resid 92   and name HB1 ))
   (( segid "SF1 " and resid 88   and name HA  ))
      2.500     0.800     0.800 peak   687 spectrum    1 weight  0.10000E+01 volume  0.10210E-01 ppm1      4.143 ppm2      0.858 CV     1
 OR {  687}
   (  segid "SF1 " and resid 119  and name HD2%)
   (( segid "SF1 " and resid 119  and name HA  ))
 ASSI {  688}
   (( segid "SF1 " and resid 119  and name HB2 ))
   (( segid "SF1 " and resid 119  and name HA  ))
      2.200     0.600     0.600 peak   688 spectrum    1 weight  0.10000E+01 volume  0.12777E-01 ppm1      4.141 ppm2      1.616 CV     1
 OR {  688}
   (( segid "SF1 " and resid 108  and name HB2 ))
   (( segid "SF1 " and resid 108  and name HA  ))
 ASSI {  689}
   (( segid "SF1 " and resid 88   and name HB1 ))
   (( segid "SF1 " and resid 88   and name HA  ))
      2.100     0.500     0.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.12549E-01 ppm1      4.138 ppm2      1.839 CV     1
 OR {  689}
   (( segid "SF1 " and resid 119  and name HB1 ))
   (( segid "SF1 " and resid 119  and name HA  ))
 ASSI {  691}
   (( segid "SF1 " and resid 98   and name HB1 ))
   (( segid "SF1 " and resid 98   and name HA  ))
      2.100     0.500     0.500 peak   691 spectrum    1 weight  0.10000E+01 volume  0.15401E-01 ppm1      4.233 ppm2      2.180 CV     1
 OR {  691}
   (( segid "SF1 " and resid 25   and name HG1 ))
   (( segid "SF1 " and resid 25   and name HA  ))
 OR {  691}
   (( segid "SF1 " and resid 25   and name HG2 ))
   (( segid "SF1 " and resid 25   and name HA  ))
 ASSI {  692}
   (( segid "SF1 " and resid 121  and name HB2 ))
   (( segid "SF1 " and resid 121  and name HA  ))
      2.100     0.500     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.17910E-01 ppm1      4.211 ppm2      2.104 CV     1
 OR {  692}
   (( segid "SF1 " and resid 122  and name HB1 ))
   (( segid "SF1 " and resid 122  and name HA  ))
 OR {  692}
   (( segid "SF1 " and resid 121  and name HB1 ))
   (( segid "SF1 " and resid 121  and name HA  ))
 ASSI {  693}
   (( segid "SF1 " and resid 121  and name HG1 ))
   (( segid "SF1 " and resid 121  and name HA  ))
      2.700     0.900     0.900 peak   693 spectrum    1 weight  0.10000E+01 volume  0.46773E-02 ppm1      4.208 ppm2      2.394 CV     1
 OR {  693}
   (( segid "SF1 " and resid 122  and name HG2 ))
   (( segid "SF1 " and resid 122  and name HA  ))
 OR {  693}
   (( segid "SF1 " and resid 122  and name HG1 ))
   (( segid "SF1 " and resid 122  and name HA  ))
 OR {  693}
   (( segid "SF1 " and resid 121  and name HG2 ))
   (( segid "SF1 " and resid 121  and name HA  ))
 ASSI {  694}
   (  segid "SF1 " and resid 97   and name HG1%)
   (( segid "SF1 " and resid 98   and name HA  ))
      3.200     1.300     1.300 peak   694 spectrum    1 weight  0.10000E+01 volume  0.13918E-02 ppm1      4.238 ppm2      0.856 CV     1
 OR {  694}
   (  segid "SF1 " and resid 26   and name HD1%)
   (( segid "SF1 " and resid 33   and name HA  ))
 ASSI {  695}
   (( segid "SF1 " and resid 67   and name HG2 ))
   (( segid "SF1 " and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.69018E-02 ppm1      4.084 ppm2      1.867 CV     1
 OR {  695}
   (( segid "SF1 " and resid 102  and name HB2 ))
   (( segid "SF1 " and resid 102  and name HA  ))
 ASSI {  698}
   (( segid "SF1 " and resid 67   and name HB1 ))
   (( segid "SF1 " and resid 67   and name HA  ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.62746E-02 ppm1      4.102 ppm2      2.389 CV     1
 OR {  698}
   (( segid "SF1 " and resid 67   and name HB2 ))
   (( segid "SF1 " and resid 67   and name HA  ))
 OR {  698}
   (( segid "SF1 " and resid 102  and name HG2 ))
   (( segid "SF1 " and resid 102  and name HA  ))
 ASSI {  708}
   (( segid "SF1 " and resid 26   and name HN  ))
   (( segid "SF1 " and resid 25   and name HA  ))
      2.000     0.500     0.500 peak   708 spectrum    1 weight  0.10000E+01 volume  0.18310E-01 ppm1      4.236 ppm2      8.041 CV     1
 OR {  708}
   (( segid "SF1 " and resid 123  and name HN  ))
   (( segid "SF1 " and resid 123  and name HA  ))
 OR {  708}
   (( segid "SF1 " and resid 123  and name HN  ))
   (( segid "SF1 " and resid 122  and name HA  ))
 ASSI {  713}
   (( segid "SF1 " and resid 60   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HA  ))
      5.100     3.300     0.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.24299E-03 ppm1      3.756 ppm2      3.143 CV     1
 OR {  713}
   (( segid "SF1 " and resid 54   and name HA  ))
   (( segid "SF1 " and resid 59   and name HA  ))
 ASSI {  714}
   (( segid "SF1 " and resid 58   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.74721E-03 ppm1      3.746 ppm2      2.932 CV     1
 OR {  714}
   (( segid "SF1 " and resid 60   and name HB2 ))
   (( segid "SF1 " and resid 59   and name HA  ))
 ASSI {  723}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (  segid "SF1 " and resid 41   and name HD1%)
      2.700     0.900     0.900 peak   723 spectrum    1 weight  0.10000E+01 volume  0.35365E-02 ppm1      0.753 ppm2      1.868 CV     1
 OR {  723}
   (( segid "SF1 " and resid 92   and name HG2 ))
   (  segid "SF1 " and resid 41   and name HD1%)
 ASSI {  729}
   (( segid "SF1 " and resid 29   and name HN  ))
   (( segid "SF1 " and resid 28   and name HG2 ))
      2.500     0.800     0.800 peak   729 spectrum    1 weight  0.10000E+01 volume  0.50878E-02 ppm1      1.876 ppm2      8.828 CV     1
 OR {  729}
   (( segid "SF1 " and resid 94   and name HN  ))
   (( segid "SF1 " and resid 94   and name HG  ))
 ASSI {  733}
   (  segid "SF1 " and resid 41   and name HD1%)
   (( segid "SF1 " and resid 28   and name HG2 ))
      2.500     0.800     0.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.58750E-02 ppm1      1.873 ppm2      0.764 CV     1
 OR {  733}
   (  segid "SF1 " and resid 88   and name HD1%)
   (( segid "SF1 " and resid 94   and name HG  ))
 ASSI {  734}
   (  segid "SF1 " and resid 94   and name HD2%)
   (( segid "SF1 " and resid 94   and name HG  ))
      2.400     0.700     0.700 peak   734 spectrum    1 weight  0.10000E+01 volume  0.57038E-02 ppm1      1.875 ppm2      0.918 CV     1
 OR {  734}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 28   and name HG2 ))
 ASSI {  743}
   (( segid "SF1 " and resid 28   and name HB1 ))
   (( segid "SF1 " and resid 28   and name HG2 ))
      2.600     0.900     0.900 peak   743 spectrum    1 weight  0.10000E+01 volume  0.47856E-02 ppm1      1.871 ppm2      2.377 CV     1
 OR {  743}
   (( segid "SF1 " and resid 90   and name HB  ))
   (( segid "SF1 " and resid 28   and name HG2 ))
 ASSI {  748}
   (( segid "SF1 " and resid 115  and name HG1 ))
   (( segid "SF1 " and resid 115  and name HG2 ))
      1.400     0.200     0.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.88980E-01 ppm1      1.578 ppm2      1.720 CV     1
 OR {  748}
   (( segid "SF1 " and resid 53   and name HB2 ))
   (( segid "SF1 " and resid 53   and name HG2 ))
 OR {  748}
   (( segid "SF1 " and resid 53   and name HB1 ))
   (( segid "SF1 " and resid 53   and name HG1 ))
 OR {  748}
   (( segid "SF1 " and resid 53   and name HB2 ))
   (( segid "SF1 " and resid 53   and name HG1 ))
 OR {  748}
   (( segid "SF1 " and resid 103  and name HB1 ))
   (( segid "SF1 " and resid 103  and name HG2 ))
 ASSI {  750}
   (( segid "SF1 " and resid 103  and name HG1 ))
   (( segid "SF1 " and resid 103  and name HG2 ))
      1.500     0.300     0.700 peak   750 spectrum    1 weight  0.10000E+01 volume  0.38445E-01 ppm1      1.584 ppm2      1.841 CV     1
 OR {  750}
   (( segid "SF1 " and resid 115  and name HB2 ))
   (( segid "SF1 " and resid 115  and name HG2 ))
 ASSI {  753}
   (( segid "SF1 " and resid 80   and name HD2 ))
   (( segid "SF1 " and resid 80   and name HG2 ))
      2.400     0.700     0.700 peak   753 spectrum    1 weight  0.10000E+01 volume  0.36049E-02 ppm1      1.860 ppm2      3.216 CV     1
 OR {  753}
   (( segid "SF1 " and resid 103  and name HD1 ))
   (( segid "SF1 " and resid 103  and name HG1 ))
 ASSI {  756}
   (( segid "SF1 " and resid 115  and name HD1 ))
   (( segid "SF1 " and resid 115  and name HG2 ))
      2.100     0.500     0.500 peak   756 spectrum    1 weight  0.10000E+01 volume  0.13747E-01 ppm1      1.578 ppm2      3.164 CV     1
 OR {  756}
   (( segid "SF1 " and resid 53   and name HD1 ))
   (( segid "SF1 " and resid 53   and name HG1 ))
 OR {  756}
   (( segid "SF1 " and resid 53   and name HD2 ))
   (( segid "SF1 " and resid 53   and name HG2 ))
 OR {  756}
   (( segid "SF1 " and resid 53   and name HD2 ))
   (( segid "SF1 " and resid 53   and name HG1 ))
 OR {  756}
   (( segid "SF1 " and resid 53   and name HD1 ))
   (( segid "SF1 " and resid 53   and name HG2 ))
 OR {  756}
   (( segid "SF1 " and resid 115  and name HD2 ))
   (( segid "SF1 " and resid 115  and name HG2 ))
 ASSI {  767}
   (( segid "SF1 " and resid 101  and name HN  ))
   (( segid "SF1 " and resid 101  and name HB2 ))
      2.800     1.000     1.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.36677E-02 ppm1      1.533 ppm2      7.595 CV     1
 OR {  767}
   (( segid "SF1 " and resid 54   and name HN  ))
   (( segid "SF1 " and resid 53   and name HG2 ))
 ASSI {  778}
   (( segid "SF1 " and resid 119  and name HB2 ))
   (( segid "SF1 " and resid 116  and name HA  ))
      3.200     1.300     1.300 peak   778 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      4.397 ppm2      1.616 CV     1
 OR {  778}
   (( segid "SF1 " and resid 108  and name HB2 ))
   (( segid "SF1 " and resid 109  and name HA  ))
 ASSI {  780}
   (( segid "SF1 " and resid 119  and name HB1 ))
   (( segid "SF1 " and resid 116  and name HA  ))
      2.900     1.100     1.100 peak   780 spectrum    1 weight  0.10000E+01 volume  0.28178E-02 ppm1      4.404 ppm2      1.853 CV     1
 OR {  780}
   (( segid "SF1 " and resid 115  and name HB2 ))
   (( segid "SF1 " and resid 116  and name HA  ))
 OR {  780}
   (( segid "SF1 " and resid 115  and name HB1 ))
   (( segid "SF1 " and resid 116  and name HA  ))
 OR {  780}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (( segid "SF1 " and resid 116  and name HA  ))
 OR {  780}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 116  and name HA  ))
 OR {  780}
   (( segid "SF1 " and resid 111  and name HG2 ))
   (( segid "SF1 " and resid 109  and name HA  ))
 ASSI {  794}
   (( segid "SF1 " and resid 44   and name HB1 ))
   (( segid "SF1 " and resid 44   and name HA  ))
      2.700     0.900     0.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.23158E-02 ppm1      5.256 ppm2      3.646 CV     1
 OR {  794}
   (( segid "SF1 " and resid 34   and name HA  ))
   (( segid "SF1 " and resid 44   and name HA  ))
 ASSI {  801}
   (( segid "SF1 " and resid 116  and name HN  ))
   (( segid "SF1 " and resid 113  and name HA  ))
      3.800     1.800     1.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.42095E-03 ppm1      3.925 ppm2      8.231 CV     1
 OR {  801}
   (( segid "SF1 " and resid 117  and name HN  ))
   (( segid "SF1 " and resid 113  and name HA  ))
 ASSI {  802}
   (( segid "SF1 " and resid 113  and name HN  ))
   (( segid "SF1 " and resid 113  and name HA  ))
      3.000     1.100     1.100 peak   802 spectrum    1 weight  0.10000E+01 volume  0.17625E-02 ppm1      3.928 ppm2      7.747 CV     1
 OR {  802}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 113  and name HA  ))
 ASSI {  811}
   (( segid "SF1 " and resid 9    and name HB2 ))
   (( segid "SF1 " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak   811 spectrum    1 weight  0.10000E+01 volume  0.41696E-02 ppm1      4.473 ppm2      3.859 CV     1
 OR {  811}
   (( segid "SF1 " and resid 8    and name HB1 ))
   (( segid "SF1 " and resid 8    and name HA  ))
 OR {  811}
   (( segid "SF1 " and resid 9    and name HB1 ))
   (( segid "SF1 " and resid 9    and name HA  ))
 OR {  811}
   (( segid "SF1 " and resid 8    and name HB2 ))
   (( segid "SF1 " and resid 8    and name HA  ))
 ASSI {  821}
   (( segid "SF1 " and resid 78   and name HG2 ))
   (( segid "SF1 " and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   821 spectrum    1 weight  0.10000E+01 volume  0.91834E-02 ppm1      4.026 ppm2      1.678 CV     1
 OR {  821}
   (( segid "SF1 " and resid 77   and name HB2 ))
   (( segid "SF1 " and resid 77   and name HA  ))
 OR {  821}
   (( segid "SF1 " and resid 78   and name HG1 ))
   (( segid "SF1 " and resid 78   and name HA  ))
 ASSI {  822}
   (( segid "SF1 " and resid 78   and name HB2 ))
   (( segid "SF1 " and resid 78   and name HA  ))
      2.200     0.600     0.600 peak   822 spectrum    1 weight  0.10000E+01 volume  0.13176E-01 ppm1      4.027 ppm2      1.898 CV     1
 OR {  822}
   (( segid "SF1 " and resid 78   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HA  ))
 OR {  822}
   (( segid "SF1 " and resid 94   and name HG  ))
   (( segid "SF1 " and resid 94   and name HA  ))
 ASSI {  831}
   (( segid "SF1 " and resid 78   and name HN  ))
   (( segid "SF1 " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak   831 spectrum    1 weight  0.10000E+01 volume  0.45347E-02 ppm1      4.028 ppm2      7.605 CV     1
 OR {  831}
   (( segid "SF1 " and resid 78   and name HN  ))
   (( segid "SF1 " and resid 77   and name HA  ))
 ASSI {  845}
   (( segid "SF1 " and resid 92   and name HB1 ))
   (( segid "SF1 " and resid 87   and name HB1 ))
      4.200     2.200     1.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.38274E-03 ppm1      3.716 ppm2      0.901 CV     1
 OR {  845}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 87   and name HB1 ))
 ASSI {  846}
   (( segid "SF1 " and resid 48   and name HB2 ))
   (( segid "SF1 " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak   846 spectrum    1 weight  0.10000E+01 volume  0.16713E-02 ppm1      3.714 ppm2      1.196 CV     1
 OR {  846}
   (( segid "SF1 " and resid 48   and name HD1 ))
   (( segid "SF1 " and resid 45   and name HA  ))
 OR {  846}
   (( segid "SF1 " and resid 88   and name HG  ))
   (( segid "SF1 " and resid 87   and name HB1 ))
 ASSI {  847}
   (( segid "SF1 " and resid 48   and name HB1 ))
   (( segid "SF1 " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.42153E-02 ppm1      3.708 ppm2      1.758 CV     1
 OR {  847}
   (( segid "SF1 " and resid 48   and name HG1 ))
   (( segid "SF1 " and resid 45   and name HA  ))
 OR {  847}
   (  segid "SF1 " and resid 92   and name HE% )
   (( segid "SF1 " and resid 87   and name HB1 ))
 ASSI {  850}
   (( segid "SF1 " and resid 47   and name HB1 ))
   (( segid "SF1 " and resid 87   and name HB1 ))
      2.900     2.900     3.100 peak   850 spectrum    1 weight  0.10000E+01 volume  0.25953E-02 ppm1      3.714 ppm2      3.018 CV     1
 OR {  850}
   (( segid "SF1 " and resid 29   and name HB  ))
   (( segid "SF1 " and resid 87   and name HB1 ))
 ASSI {  854}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 120  and name HA  ))
      2.400     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.62172E-02 ppm1      4.122 ppm2      7.876 CV     1
 OR {  854}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 120  and name HA  ))
 ASSI {  855}
   (( segid "SF1 " and resid 116  and name HN  ))
   (( segid "SF1 " and resid 116  and name HA  ))
      2.600     0.800     0.800 peak   855 spectrum    1 weight  0.10000E+01 volume  0.40384E-02 ppm1      4.401 ppm2      8.223 CV     1
 OR {  855}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 109  and name HA  ))
 ASSI {  857}
   (( segid "SF1 " and resid 110  and name HN  ))
   (( segid "SF1 " and resid 109  and name HA  ))
      3.100     1.200     1.200 peak   857 spectrum    1 weight  0.10000E+01 volume  0.11864E-02 ppm1      4.394 ppm2      7.859 CV     1
 OR {  857}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 116  and name HA  ))
 ASSI {  859}
   (( segid "SF1 " and resid 108  and name HN  ))
   (( segid "SF1 " and resid 108  and name HA  ))
      2.800     1.000     1.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.28805E-02 ppm1      4.126 ppm2      8.166 CV     1
 OR {  859}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 108  and name HA  ))
 ASSI {  868}
   (( segid "SF1 " and resid 85   and name HB2 ))
   (( segid "SF1 " and resid 85   and name HA  ))
      2.700     0.900     0.900 peak   868 spectrum    1 weight  0.10000E+01 volume  0.57038E-02 ppm1      3.740 ppm2      1.809 CV     1
 OR {  868}
   (( segid "SF1 " and resid 88   and name HB1 ))
   (( segid "SF1 " and resid 85   and name HA  ))
 ASSI {  889}
   (( segid "SF1 " and resid 76   and name HN  ))
   (( segid "SF1 " and resid 76   and name HB1 ))
      2.700     0.900     0.900 peak   889 spectrum    1 weight  0.10000E+01 volume  0.20306E-02 ppm1      1.828 ppm2      7.966 CV     1
 OR {  889}
   (( segid "SF1 " and resid 86   and name HN  ))
   (( segid "SF1 " and resid 85   and name HB2 ))
 ASSI {  892}
   (( segid "SF1 " and resid 118  and name HN  ))
   (( segid "SF1 " and resid 117  and name HG1 ))
      4.000     2.000     2.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.60461E-03 ppm1      1.853 ppm2      7.759 CV     1
 OR {  892}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 85   and name HB2 ))
 ASSI {  894}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 121  and name HB1 ))
      2.300     0.700     0.700 peak   894 spectrum    1 weight  0.10000E+01 volume  0.78717E-02 ppm1      2.040 ppm2      7.877 CV     1
 OR {  894}
   (( segid "SF1 " and resid 122  and name HN  ))
   (( segid "SF1 " and resid 122  and name HB2 ))
 OR {  894}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 121  and name HB2 ))
 OR {  894}
   (( segid "SF1 " and resid 122  and name HN  ))
   (( segid "SF1 " and resid 121  and name HB2 ))
 ASSI {  909}
   (( segid "SF1 " and resid 124  and name HG2 ))
   (( segid "SF1 " and resid 124  and name HD1 ))
      1.400     0.200     0.800 peak   909 spectrum    1 weight  0.10000E+01 volume  0.15857E+00 ppm1      1.647 ppm2      1.417 CV     1
 OR {  909}
   (( segid "SF1 " and resid 124  and name HG1 ))
   (( segid "SF1 " and resid 124  and name HD2 ))
 OR {  909}
   (( segid "SF1 " and resid 124  and name HG2 ))
   (( segid "SF1 " and resid 124  and name HD2 ))
 OR {  909}
   (( segid "SF1 " and resid 124  and name HG1 ))
   (( segid "SF1 " and resid 124  and name HD1 ))
 OR {  909}
   (( segid "SF1 " and resid 120  and name HG2 ))
   (( segid "SF1 " and resid 120  and name HD1 ))
 ASSI {  910}
   (( segid "SF1 " and resid 117  and name HG1 ))
   (( segid "SF1 " and resid 117  and name HG2 ))
      1.600     0.300     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.30288E-01 ppm1      1.647 ppm2      1.850 CV     1
 OR {  910}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (( segid "SF1 " and resid 117  and name HG2 ))
 OR {  910}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 120  and name HD1 ))
 OR {  910}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 120  and name HD2 ))
 ASSI {  916}
   (( segid "SF1 " and resid 85   and name HB1 ))
   (( segid "SF1 " and resid 85   and name HB2 ))
      1.600     0.300     0.600 peak   916 spectrum    1 weight  0.10000E+01 volume  0.28064E-01 ppm1      1.827 ppm2      1.986 CV     1
 OR {  916}
   (( segid "SF1 " and resid 117  and name HB1 ))
   (( segid "SF1 " and resid 117  and name HG1 ))
 ASSI {  921}
   (( segid "SF1 " and resid 52   and name HG2 ))
   (( segid "SF1 " and resid 52   and name HD2 ))
      2.300     0.700     0.700 peak   921 spectrum    1 weight  0.10000E+01 volume  0.51564E-02 ppm1      1.424 ppm2      1.073 CV     1
 OR {  921}
   (( segid "SF1 " and resid 108  and name HG1 ))
   (( segid "SF1 " and resid 108  and name HD2 ))
 ASSI {  922}
   (( segid "SF1 " and resid 108  and name HG1 ))
   (( segid "SF1 " and resid 108  and name HD1 ))
      2.300     0.700     0.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.62172E-02 ppm1      1.482 ppm2      1.073 CV     1
 OR {  922}
   (( segid "SF1 " and resid 52   and name HG2 ))
   (( segid "SF1 " and resid 52   and name HD2 ))
 ASSI {  926}
   (( segid "SF1 " and resid 121  and name HG2 ))
   (( segid "SF1 " and resid 121  and name HB1 ))
      2.000     0.500     0.500 peak   926 spectrum    1 weight  0.10000E+01 volume  0.24128E-01 ppm1      2.046 ppm2      2.384 CV     1
 OR {  926}
   (( segid "SF1 " and resid 121  and name HG2 ))
   (( segid "SF1 " and resid 121  and name HB2 ))
 OR {  926}
   (( segid "SF1 " and resid 122  and name HG2 ))
   (( segid "SF1 " and resid 122  and name HB2 ))
 ASSI {  928}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 75   and name HB2 ))
      1.700     0.400     0.500 peak   928 spectrum    1 weight  0.10000E+01 volume  0.17739E-01 ppm1      1.816 ppm2      2.350 CV     1
 OR {  928}
   (( segid "SF1 " and resid 65   and name HG1 ))
   (( segid "SF1 " and resid 65   and name HB2 ))
 ASSI {  939}
   (( segid "SF1 " and resid 65   and name HB2 ))
   (( segid "SF1 " and resid 65   and name HB1 ))
      1.800     0.400     0.400 peak   939 spectrum    1 weight  0.10000E+01 volume  0.12777E-01 ppm1      2.149 ppm2      1.808 CV     1
 OR {  939}
   (( segid "SF1 " and resid 98   and name HB2 ))
   (( segid "SF1 " and resid 98   and name HB1 ))
 ASSI {  951}
   (( segid "SF1 " and resid 82   and name HA  ))
   (( segid "SF1 " and resid 85   and name HB2 ))
      2.800     1.000     1.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.19622E-02 ppm1      1.854 ppm2      4.037 CV     1
 OR {  951}
   (( segid "SF1 " and resid 117  and name HA  ))
   (( segid "SF1 " and resid 117  and name HG1 ))
 ASSI {  958}
   (  segid "SF1 " and resid 97   and name HG2%)
   (( segid "SF1 " and resid 94   and name HA  ))
      3.000     1.100     1.100 peak   958 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      4.037 ppm2      0.634 CV     1
 OR {  958}
   (( segid "SF1 " and resid 92   and name HB2 ))
   (( segid "SF1 " and resid 94   and name HA  ))
 ASSI {  959}
   (  segid "SF1 " and resid 55   and name HG1%)
   (( segid "SF1 " and resid 94   and name HA  ))
      3.000     1.200     1.200 peak   959 spectrum    1 weight  0.10000E+01 volume  0.25154E-02 ppm1      4.033 ppm2      0.768 CV     1
 OR {  959}
   (  segid "SF1 " and resid 88   and name HD1%)
   (( segid "SF1 " and resid 94   and name HA  ))
 ASSI {  977}
   (( segid "SF1 " and resid 81   and name HB2 ))
   (( segid "SF1 " and resid 80   and name HG2 ))
      3.900     1.900     1.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      1.873 ppm2      2.820 CV     1
 OR {  977}
   (( segid "SF1 " and resid 27   and name HB2 ))
   (( segid "SF1 " and resid 28   and name HG2 ))
 OR {  977}
   (( segid "SF1 " and resid 79   and name HB1 ))
   (( segid "SF1 " and resid 80   and name HG2 ))
 ASSI {  982}
   (( segid "SF1 " and resid 117  and name HN  ))
   (( segid "SF1 " and resid 114  and name HA  ))
      3.500     1.500     1.500 peak   982 spectrum    1 weight  0.10000E+01 volume  0.80428E-03 ppm1      3.911 ppm2      8.233 CV     1
 OR {  982}
   (( segid "SF1 " and resid 116  and name HN  ))
   (( segid "SF1 " and resid 114  and name HA  ))
 ASSI {  984}
   (( segid "SF1 " and resid 57   and name HD22))
   (( segid "SF1 " and resid 53   and name HA  ))
      3.400     1.400     1.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.11408E-02 ppm1      3.987 ppm2      7.249 CV     1
 OR {  984}
   (( segid "SF1 " and resid 53   and name HE  ))
   (( segid "SF1 " and resid 53   and name HA  ))
 ASSI {  992}
   (( segid "SF1 " and resid 57   and name HN  ))
   (( segid "SF1 " and resid 56   and name HA  ))
      3.200     1.300     1.300 peak   992 spectrum    1 weight  0.10000E+01 volume  0.12720E-02 ppm1      3.837 ppm2      6.773 CV     1
 OR {  992}
   (( segid "SF1 " and resid 58   and name HD22))
   (( segid "SF1 " and resid 56   and name HA  ))
 ASSI {  994}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 76   and name HA  ))
      3.200     1.300     1.300 peak   994 spectrum    1 weight  0.10000E+01 volume  0.11921E-02 ppm1      3.925 ppm2      7.580 CV     1
 OR {  994}
   (( segid "SF1 " and resid 78   and name HN  ))
   (( segid "SF1 " and resid 76   and name HA  ))
 ASSI {  995}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 117  and name HA  ))
      3.000     1.100     1.100 peak   995 spectrum    1 weight  0.10000E+01 volume  0.17169E-02 ppm1      4.028 ppm2      7.881 CV     1
 OR {  995}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 117  and name HA  ))
 ASSI { 1007}
   (  segid "SF1 " and resid 39   and name HE% )
   (( segid "SF1 " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.17169E-02 ppm1      3.936 ppm2      7.067 CV     1
 OR { 1007}
   (  segid "SF1 " and resid 51   and name HD% )
   (( segid "SF1 " and resid 48   and name HA  ))
 ASSI { 1013}
   (( segid "SF1 " and resid 55   and name HN  ))
   (( segid "SF1 " and resid 52   and name HA  ))
      3.600     1.600     1.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.61604E-03 ppm1      3.458 ppm2      7.626 CV     1
 OR { 1013}
   (( segid "SF1 " and resid 54   and name HN  ))
   (( segid "SF1 " and resid 52   and name HA  ))
 ASSI { 1020}
   (( segid "SF1 " and resid 114  and name HD1 ))
   (( segid "SF1 " and resid 114  and name HA  ))
      3.500     1.500     1.500 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.17511E-02 ppm1      3.926 ppm2      1.602 CV     1
 OR { 1020}
   (( segid "SF1 " and resid 114  and name HD2 ))
   (( segid "SF1 " and resid 114  and name HA  ))
 OR { 1020}
   (( segid "SF1 " and resid 83   and name HB1 ))
   (( segid "SF1 " and resid 76   and name HA  ))
 ASSI { 1021}
   (( segid "SF1 " and resid 76   and name HB1 ))
   (( segid "SF1 " and resid 76   and name HA  ))
      2.100     0.500     0.500 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.13233E-01 ppm1      3.916 ppm2      1.797 CV     1
 OR { 1021}
   (( segid "SF1 " and resid 114  and name HB2 ))
   (( segid "SF1 " and resid 114  and name HA  ))
 OR { 1021}
   (( segid "SF1 " and resid 114  and name HB1 ))
   (( segid "SF1 " and resid 114  and name HA  ))
 ASSI { 1025}
   (  segid "SF1 " and resid 55   and name HG1%)
   (( segid "SF1 " and resid 56   and name HA  ))
      3.000     1.200     1.200 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.23900E-02 ppm1      3.829 ppm2      0.793 CV     1
 OR { 1025}
   (  segid "SF1 " and resid 97   and name HG1%)
   (( segid "SF1 " and resid 56   and name HA  ))
 ASSI { 1030}
   (( segid "SF1 " and resid 41   and name HN  ))
   (( segid "SF1 " and resid 37   and name HA  ))
      4.300     2.400     1.700 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.38388E-03 ppm1      3.836 ppm2      7.676 CV     1
 OR { 1030}
   (( segid "SF1 " and resid 55   and name HN  ))
   (( segid "SF1 " and resid 56   and name HA  ))
 ASSI { 1053}
   (( segid "SF1 " and resid 57   and name HN  ))
   (( segid "SF1 " and resid 56   and name HB1 ))
      4.100     2.100     1.900 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.54931E-03 ppm1      2.045 ppm2      6.780 CV     1
 OR { 1053}
   (( segid "SF1 " and resid 21   and name HE22))
   (( segid "SF1 " and resid 21   and name HB1 ))
 ASSI { 1064}
   (( segid "SF1 " and resid 82   and name HB2 ))
   (( segid "SF1 " and resid 82   and name HB1 ))
      2.000     0.500     0.500 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.66164E-02 ppm1      3.005 ppm2      2.792 CV     1
 OR { 1064}
   (( segid "SF1 " and resid 79   and name HB1 ))
   (( segid "SF1 " and resid 82   and name HB1 ))
 ASSI { 1079}
   (( segid "SF1 " and resid 53   and name HA  ))
   (( segid "SF1 " and resid 53   and name HB1 ))
      2.600     0.800     0.800 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.37817E-02 ppm1      1.724 ppm2      3.978 CV     1
 OR { 1079}
   (( segid "SF1 " and resid 50   and name HA  ))
   (( segid "SF1 " and resid 53   and name HB2 ))
 OR { 1079}
   (( segid "SF1 " and resid 53   and name HA  ))
   (( segid "SF1 " and resid 53   and name HB2 ))
 ASSI { 1081}
   (( segid "SF1 " and resid 54   and name HN  ))
   (( segid "SF1 " and resid 53   and name HB2 ))
      2.800     1.000     1.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.30859E-02 ppm1      1.734 ppm2      7.588 CV     1
 OR { 1081}
   (( segid "SF1 " and resid 54   and name HN  ))
   (( segid "SF1 " and resid 53   and name HB1 ))
 OR { 1081}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 77   and name HD1 ))
 ASSI { 1082}
   (( segid "SF1 " and resid 96   and name HN  ))
   (( segid "SF1 " and resid 93   and name HB1 ))
      2.900     1.000     1.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.15629E-02 ppm1      1.738 ppm2      7.735 CV     1
 OR { 1082}
   (( segid "SF1 " and resid 57   and name HD21))
   (( segid "SF1 " and resid 53   and name HB1 ))
 ASSI { 1086}
   (( segid "SF1 " and resid 117  and name HN  ))
   (( segid "SF1 " and resid 117  and name HB2 ))
      2.400     0.700     0.700 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.57612E-02 ppm1      1.859 ppm2      8.224 CV     1
 OR { 1086}
   (( segid "SF1 " and resid 116  and name HN  ))
   (( segid "SF1 " and resid 115  and name HB2 ))
 OR { 1086}
   (( segid "SF1 " and resid 116  and name HN  ))
   (( segid "SF1 " and resid 115  and name HB1 ))
 ASSI { 1091}
   (( segid "SF1 " and resid 118  and name HN  ))
   (( segid "SF1 " and resid 117  and name HB1 ))
      2.900     1.100     1.100 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.15572E-02 ppm1      1.995 ppm2      7.757 CV     1
 OR { 1091}
   (( segid "SF1 " and resid 34   and name HN  ))
   (( segid "SF1 " and resid 25   and name HB1 ))
 ASSI { 1106}
   (( segid "SF1 " and resid 42   and name HB2 ))
   (( segid "SF1 " and resid 25   and name HB2 ))
      2.600     0.900     0.900 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.21276E-02 ppm1      1.850 ppm2      0.876 CV     1
 OR { 1106}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 115  and name HB1 ))
 OR { 1106}
   (  segid "SF1 " and resid 119  and name HD2%)
   (( segid "SF1 " and resid 115  and name HB1 ))
 OR { 1106}
   (  segid "SF1 " and resid 26   and name HD1%)
   (( segid "SF1 " and resid 25   and name HB2 ))
 ASSI { 1107}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 86   and name HD1 ))
      3.200     1.300     1.300 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.19565E-02 ppm1      1.813 ppm2      0.851 CV     1
 OR { 1107}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 86   and name HD1 ))
 ASSI { 1113}
   (( segid "SF1 " and resid 64   and name HN  ))
   (( segid "SF1 " and resid 63   and name HB1 ))
      4.100     2.100     1.900 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.29147E-03 ppm1      2.679 ppm2      9.296 CV     1
 OR { 1113}
   (( segid "SF1 " and resid 67   and name HN  ))
   (( segid "SF1 " and resid 63   and name HB1 ))
 ASSI { 1114}
   (( segid "SF1 " and resid 64   and name HN  ))
   (( segid "SF1 " and resid 63   and name HB2 ))
      3.900     1.900     1.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.78143E-03 ppm1      2.403 ppm2      9.297 CV     1
 OR { 1114}
   (( segid "SF1 " and resid 67   and name HN  ))
   (( segid "SF1 " and resid 63   and name HB2 ))
 ASSI { 1119}
   (( segid "SF1 " and resid 29   and name HN  ))
   (( segid "SF1 " and resid 27   and name HB1 ))
      3.500     1.600     1.600 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.59892E-03 ppm1      3.264 ppm2      8.815 CV     1
 OR { 1119}
   (( segid "SF1 " and resid 44   and name HN  ))
   (( segid "SF1 " and resid 27   and name HB1 ))
 ASSI { 1137}
   (( segid "SF1 " and resid 33   and name HE1 ))
   (( segid "SF1 " and resid 33   and name HD2 ))
      2.200     0.600     0.600 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.91265E-02 ppm1      1.717 ppm2      3.020 CV     1
 OR { 1137}
   (( segid "SF1 " and resid 33   and name HE2 ))
   (( segid "SF1 " and resid 33   and name HD1 ))
 OR { 1137}
   (( segid "SF1 " and resid 123  and name HE2 ))
   (( segid "SF1 " and resid 123  and name HD1 ))
 OR { 1137}
   (( segid "SF1 " and resid 123  and name HE1 ))
   (( segid "SF1 " and resid 123  and name HD1 ))
 OR { 1137}
   (( segid "SF1 " and resid 123  and name HE2 ))
   (( segid "SF1 " and resid 123  and name HD2 ))
 OR { 1137}
   (( segid "SF1 " and resid 33   and name HE1 ))
   (( segid "SF1 " and resid 33   and name HD1 ))
 OR { 1137}
   (( segid "SF1 " and resid 33   and name HE2 ))
   (( segid "SF1 " and resid 33   and name HD2 ))
 ASSI { 1140}
   (( segid "SF1 " and resid 70   and name HE2 ))
   (( segid "SF1 " and resid 70   and name HD1 ))
      1.900     0.500     0.500 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.22930E-01 ppm1      1.617 ppm2      2.919 CV     1
 OR { 1140}
   (( segid "SF1 " and resid 114  and name HE1 ))
   (( segid "SF1 " and resid 114  and name HD1 ))
 OR { 1140}
   (( segid "SF1 " and resid 70   and name HE1 ))
   (( segid "SF1 " and resid 70   and name HD2 ))
 OR { 1140}
   (( segid "SF1 " and resid 114  and name HE2 ))
   (( segid "SF1 " and resid 114  and name HD2 ))
 OR { 1140}
   (( segid "SF1 " and resid 114  and name HE1 ))
   (( segid "SF1 " and resid 114  and name HD2 ))
 OR { 1140}
   (( segid "SF1 " and resid 70   and name HE1 ))
   (( segid "SF1 " and resid 70   and name HD1 ))
 OR { 1140}
   (( segid "SF1 " and resid 70   and name HE2 ))
   (( segid "SF1 " and resid 70   and name HD2 ))
 ASSI { 1141}
   (( segid "SF1 " and resid 77   and name HA  ))
   (( segid "SF1 " and resid 77   and name HD1 ))
      3.300     1.400     1.400 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.24527E-02 ppm1      1.756 ppm2      4.024 CV     1
 OR { 1141}
   (( segid "SF1 " and resid 94   and name HA  ))
   (( segid "SF1 " and resid 93   and name HB1 ))
 ASSI { 1147}
   (( segid "SF1 " and resid 56   and name HA  ))
   (( segid "SF1 " and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      1.610 ppm2      3.813 CV     1
 OR { 1147}
   (( segid "SF1 " and resid 73   and name HA  ))
   (( segid "SF1 " and resid 73   and name HD1 ))
 ASSI { 1153}
   (( segid "SF1 " and resid 117  and name HD2 ))
   (( segid "SF1 " and resid 117  and name HB2 ))
      2.300     0.700     0.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.83277E-02 ppm1      1.859 ppm2      3.165 CV     1
 OR { 1153}
   (( segid "SF1 " and resid 115  and name HD1 ))
   (( segid "SF1 " and resid 115  and name HB2 ))
 OR { 1153}
   (( segid "SF1 " and resid 115  and name HD1 ))
   (( segid "SF1 " and resid 115  and name HB1 ))
 OR { 1153}
   (( segid "SF1 " and resid 115  and name HD2 ))
   (( segid "SF1 " and resid 115  and name HB1 ))
 ASSI { 1155}
   (( segid "SF1 " and resid 117  and name HA  ))
   (( segid "SF1 " and resid 117  and name HB2 ))
      2.400     0.700     0.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.51224E-02 ppm1      1.860 ppm2      4.073 CV     1
 OR { 1155}
   (( segid "SF1 " and resid 115  and name HA  ))
   (( segid "SF1 " and resid 115  and name HB1 ))
 OR { 1155}
   (( segid "SF1 " and resid 115  and name HA  ))
   (( segid "SF1 " and resid 115  and name HB2 ))
 ASSI { 1165}
   (( segid "SF1 " and resid 108  and name HN  ))
   (( segid "SF1 " and resid 108  and name HB1 ))
      3.000     1.100     1.100 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.15857E-02 ppm1      1.675 ppm2      8.165 CV     1
 OR { 1165}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 108  and name HB1 ))
 ASSI { 1166}
   (( segid "SF1 " and resid 108  and name HN  ))
   (( segid "SF1 " and resid 108  and name HB2 ))
      3.200     1.200     1.200 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      1.612 ppm2      8.162 CV     1
 OR { 1166}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 108  and name HB2 ))
 ASSI { 1178}
   (( segid "SF1 " and resid 52   and name HG1 ))
   (( segid "SF1 " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.29262E-02 ppm1      3.455 ppm2      1.513 CV     1
 OR { 1178}
   (( segid "SF1 " and resid 55   and name HB  ))
   (( segid "SF1 " and resid 52   and name HA  ))
 ASSI { 1184}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 83   and name HA  ))
      3.200     1.300     1.300 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.32627E-02 ppm1      3.726 ppm2      0.856 CV     1
 OR { 1184}
   (( segid "SF1 " and resid 83   and name HD2 ))
   (( segid "SF1 " and resid 83   and name HA  ))
 ASSI { 1189}
   (( segid "SF1 " and resid 48   and name HB1 ))
   (( segid "SF1 " and resid 48   and name HA  ))
      3.200     1.300     1.300 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.12206E-02 ppm1      3.935 ppm2      1.726 CV     1
 OR { 1189}
   (  segid "SF1 " and resid 92   and name HE% )
   (( segid "SF1 " and resid 48   and name HA  ))
 OR { 1189}
   (( segid "SF1 " and resid 48   and name HG1 ))
   (( segid "SF1 " and resid 48   and name HA  ))
 ASSI { 1191}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (( segid "SF1 " and resid 117  and name HA  ))
      2.100     0.600     0.600 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.10324E-01 ppm1      4.030 ppm2      1.849 CV     1
 OR { 1191}
   (( segid "SF1 " and resid 117  and name HG1 ))
   (( segid "SF1 " and resid 117  and name HA  ))
 OR { 1191}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 117  and name HA  ))
 ASSI { 1192}
   (( segid "SF1 " and resid 117  and name HG2 ))
   (( segid "SF1 " and resid 117  and name HA  ))
      2.800     1.000     1.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.38160E-02 ppm1      4.022 ppm2      1.620 CV     1
 OR { 1192}
   (( segid "SF1 " and resid 120  and name HD1 ))
   (( segid "SF1 " and resid 117  and name HA  ))
 ASSI { 1193}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 86   and name HA  ))
      3.800     1.800     1.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.62746E-03 ppm1      4.172 ppm2      0.917 CV     1
 OR { 1193}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 86   and name HA  ))
 ASSI { 1207}
   (  segid "SF1 " and resid 34   and name HG1%)
   (( segid "SF1 " and resid 43   and name HA  ))
      3.600     1.600     1.600 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.71872E-03 ppm1      5.148 ppm2      0.706 CV     1
 OR { 1207}
   (  segid "SF1 " and resid 41   and name HD2%)
   (( segid "SF1 " and resid 43   and name HA  ))
 ASSI { 1246}
   (( segid "SF1 " and resid 73   and name HG1 ))
   (( segid "SF1 " and resid 73   and name HB2 ))
      1.900     0.500     0.500 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.22930E-01 ppm1      1.799 ppm2      1.363 CV     1
 OR { 1246}
   (( segid "SF1 " and resid 114  and name HG2 ))
   (( segid "SF1 " and resid 114  and name HB1 ))
 OR { 1246}
   (( segid "SF1 " and resid 73   and name HG2 ))
   (( segid "SF1 " and resid 73   and name HB1 ))
 OR { 1246}
   (( segid "SF1 " and resid 73   and name HG1 ))
   (( segid "SF1 " and resid 73   and name HB1 ))
 OR { 1246}
   (( segid "SF1 " and resid 73   and name HG2 ))
   (( segid "SF1 " and resid 73   and name HB2 ))
 ASSI { 1247}
   (( segid "SF1 " and resid 33   and name HG1 ))
   (( segid "SF1 " and resid 33   and name HB1 ))
      1.700     0.400     0.500 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.49339E-01 ppm1      1.799 ppm2      1.497 CV     1
 OR { 1247}
   (( segid "SF1 " and resid 114  and name HG1 ))
   (( segid "SF1 " and resid 114  and name HB2 ))
 OR { 1247}
   (( segid "SF1 " and resid 123  and name HG2 ))
   (( segid "SF1 " and resid 123  and name HB1 ))
 OR { 1247}
   (( segid "SF1 " and resid 123  and name HG1 ))
   (( segid "SF1 " and resid 123  and name HB2 ))
 OR { 1247}
   (( segid "SF1 " and resid 33   and name HG2 ))
   (( segid "SF1 " and resid 33   and name HB1 ))
 OR { 1247}
   (( segid "SF1 " and resid 123  and name HG2 ))
   (( segid "SF1 " and resid 123  and name HB2 ))
 OR { 1247}
   (( segid "SF1 " and resid 123  and name HG1 ))
   (( segid "SF1 " and resid 123  and name HB1 ))
 ASSI { 1297}
   (( segid "SF1 " and resid 41   and name HG  ))
   (( segid "SF1 " and resid 91   and name HA1 ))
      3.300     1.400     1.400 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      4.465 ppm2      1.428 CV     1
 OR { 1297}
   (( segid "SF1 " and resid 93   and name HB2 ))
   (( segid "SF1 " and resid 40   and name HA1 ))
 OR { 1297}
   (( segid "SF1 " and resid 41   and name HG  ))
   (( segid "SF1 " and resid 40   and name HA1 ))
 ASSI { 1300}
   (( segid "SF1 " and resid 10   and name HN  ))
   (( segid "SF1 " and resid 10   and name HA1 ))
      2.800     1.000     1.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.29490E-02 ppm1      3.964 ppm2      8.428 CV     1
 OR { 1300}
   (( segid "SF1 " and resid 14   and name HN  ))
   (( segid "SF1 " and resid 14   and name HA2 ))
 OR { 1300}
   (( segid "SF1 " and resid 14   and name HN  ))
   (( segid "SF1 " and resid 14   and name HA1 ))
 OR { 1300}
   (( segid "SF1 " and resid 10   and name HN  ))
   (( segid "SF1 " and resid 10   and name HA2 ))
 ASSI { 1319}
   (( segid "SF1 " and resid 103  and name HE  ))
   (( segid "SF1 " and resid 103  and name HD1 ))
      2.600     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.37475E-02 ppm1      3.244 ppm2      7.248 CV     1
 OR { 1319}
   (( segid "SF1 " and resid 117  and name HE  ))
   (( segid "SF1 " and resid 117  and name HD1 ))
 ASSI { 1323}
   (( segid "SF1 " and resid 53   and name HE  ))
   (( segid "SF1 " and resid 53   and name HD2 ))
      2.500     0.800     0.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.43464E-02 ppm1      3.162 ppm2      7.247 CV     1
 OR { 1323}
   (( segid "SF1 " and resid 117  and name HE  ))
   (( segid "SF1 " and resid 117  and name HD2 ))
 OR { 1323}
   (( segid "SF1 " and resid 53   and name HE  ))
   (( segid "SF1 " and resid 53   and name HD1 ))
 OR { 1323}
   (( segid "SF1 " and resid 103  and name HE  ))
   (( segid "SF1 " and resid 103  and name HD2 ))
 ASSI { 1326}
   (( segid "SF1 " and resid 117  and name HA  ))
   (( segid "SF1 " and resid 117  and name HD2 ))
      3.000     1.100     1.100 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.28463E-02 ppm1      3.173 ppm2      4.069 CV     1
 OR { 1326}
   (( segid "SF1 " and resid 115  and name HA  ))
   (( segid "SF1 " and resid 115  and name HD2 ))
 OR { 1326}
   (( segid "SF1 " and resid 115  and name HA  ))
   (( segid "SF1 " and resid 115  and name HD1 ))
 ASSI { 1327}
   (( segid "SF1 " and resid 117  and name HG1 ))
   (( segid "SF1 " and resid 117  and name HD1 ))
      2.300     0.700     0.700 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.78717E-02 ppm1      3.247 ppm2      1.849 CV     1
 OR { 1327}
   (( segid "SF1 " and resid 103  and name HG1 ))
   (( segid "SF1 " and resid 103  and name HD1 ))
 OR { 1327}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (( segid "SF1 " and resid 117  and name HD1 ))
 ASSI { 1332}
   (( segid "SF1 " and resid 117  and name HG1 ))
   (( segid "SF1 " and resid 117  and name HD2 ))
      2.000     0.500     0.500 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.16599E-01 ppm1      3.168 ppm2      1.851 CV     1
 OR { 1332}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (( segid "SF1 " and resid 117  and name HD2 ))
 OR { 1332}
   (( segid "SF1 " and resid 115  and name HB2 ))
   (( segid "SF1 " and resid 115  and name HD1 ))
 OR { 1332}
   (( segid "SF1 " and resid 115  and name HB1 ))
   (( segid "SF1 " and resid 115  and name HD1 ))
 OR { 1332}
   (( segid "SF1 " and resid 115  and name HB1 ))
   (( segid "SF1 " and resid 115  and name HD2 ))
 ASSI { 1354}
   (( segid "SF1 " and resid 75   and name HE22))
   (( segid "SF1 " and resid 78   and name HD1 ))
      3.500     1.600     1.600 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.88411E-03 ppm1      3.233 ppm2      6.701 CV     1
 OR { 1354}
   (( segid "SF1 " and resid 72   and name HN  ))
   (( segid "SF1 " and resid 78   and name HD2 ))
 OR { 1354}
   (( segid "SF1 " and resid 72   and name HN  ))
   (( segid "SF1 " and resid 78   and name HD1 ))
 ASSI { 1357}
   (( segid "SF1 " and resid 117  and name HG1 ))
   (( segid "SF1 " and resid 117  and name HD1 ))
      2.300     0.700     0.700 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.85557E-02 ppm1      3.241 ppm2      1.899 CV     1
 OR { 1357}
   (( segid "SF1 " and resid 78   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HD2 ))
 OR { 1357}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (( segid "SF1 " and resid 117  and name HD1 ))
 OR { 1357}
   (( segid "SF1 " and resid 78   and name HB2 ))
   (( segid "SF1 " and resid 78   and name HD1 ))
 OR { 1357}
   (( segid "SF1 " and resid 78   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HD1 ))
 ASSI { 1370}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 119  and name HB2 ))
      2.300     0.700     0.700 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.10724E-01 ppm1      1.617 ppm2      0.878 CV     1
 OR { 1370}
   (  segid "SF1 " and resid 13   and name HD1%)
   (( segid "SF1 " and resid 13   and name HB1 ))
 OR { 1370}
   (  segid "SF1 " and resid 119  and name HD2%)
   (( segid "SF1 " and resid 119  and name HB2 ))
 OR { 1370}
   (  segid "SF1 " and resid 13   and name HD1%)
   (( segid "SF1 " and resid 13   and name HB2 ))
 ASSI { 1373}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 42   and name HB1 ))
      2.400     0.700     0.700 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.62746E-02 ppm1      1.708 ppm2      0.603 CV     1
 OR { 1373}
   (  segid "SF1 " and resid 42   and name HD1%)
   (( segid "SF1 " and resid 42   and name HB1 ))
 ASSI { 1378}
   (  segid "SF1 " and resid 42   and name HD1%)
   (( segid "SF1 " and resid 42   and name HB2 ))
      2.600     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.53504E-02 ppm1      0.880 ppm2      0.605 CV     1
 OR { 1378}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 42   and name HB2 ))
 ASSI { 1396}
   (( segid "SF1 " and resid 93   and name HG1 ))
   (( segid "SF1 " and resid 93   and name HD1 ))
      2.400     0.700     0.700 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.92977E-02 ppm1      3.010 ppm2      1.820 CV     1
 OR { 1396}
   (( segid "SF1 " and resid 123  and name HB1 ))
   (( segid "SF1 " and resid 123  and name HE1 ))
 ASSI { 1399}
   (( segid "SF1 " and resid 124  and name HD1 ))
   (( segid "SF1 " and resid 124  and name HE2 ))
      1.900     0.400     0.400 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.24983E-01 ppm1      2.968 ppm2      1.641 CV     1
 OR { 1399}
   (( segid "SF1 " and resid 120  and name HD2 ))
   (( segid "SF1 " and resid 120  and name HE1 ))
 OR { 1399}
   (( segid "SF1 " and resid 120  and name HD1 ))
   (( segid "SF1 " and resid 120  and name HE2 ))
 OR { 1399}
   (( segid "SF1 " and resid 120  and name HD2 ))
   (( segid "SF1 " and resid 120  and name HE2 ))
 OR { 1399}
   (( segid "SF1 " and resid 124  and name HD2 ))
   (( segid "SF1 " and resid 124  and name HE2 ))
 OR { 1399}
   (( segid "SF1 " and resid 124  and name HD1 ))
   (( segid "SF1 " and resid 124  and name HE1 ))
 OR { 1399}
   (( segid "SF1 " and resid 120  and name HD1 ))
   (( segid "SF1 " and resid 120  and name HE1 ))
 ASSI { 1405}
   (( segid "SF1 " and resid 86   and name HD1 ))
   (( segid "SF1 " and resid 86   and name HE1 ))
      2.700     0.900     0.900 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.26523E-02 ppm1      3.261 ppm2      1.825 CV     1
 OR { 1405}
   (( segid "SF1 " and resid 106  and name HG2 ))
   (( segid "SF1 " and resid 106  and name HD2 ))
 OR { 1405}
   (( segid "SF1 " and resid 106  and name HG1 ))
   (( segid "SF1 " and resid 106  and name HD2 ))
 ASSI { 1408}
   (( segid "SF1 " and resid 93   and name HG2 ))
   (( segid "SF1 " and resid 93   and name HD1 ))
      2.300     0.700     0.700 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.90692E-02 ppm1      3.029 ppm2      1.487 CV     1
 OR { 1408}
   (( segid "SF1 " and resid 123  and name HG2 ))
   (( segid "SF1 " and resid 123  and name HE2 ))
 OR { 1408}
   (( segid "SF1 " and resid 123  and name HG2 ))
   (( segid "SF1 " and resid 123  and name HE1 ))
 OR { 1408}
   (( segid "SF1 " and resid 33   and name HG2 ))
   (( segid "SF1 " and resid 33   and name HE2 ))
 OR { 1408}
   (( segid "SF1 " and resid 123  and name HG1 ))
   (( segid "SF1 " and resid 123  and name HE2 ))
 OR { 1408}
   (( segid "SF1 " and resid 33   and name HG2 ))
   (( segid "SF1 " and resid 33   and name HE1 ))
 OR { 1408}
   (( segid "SF1 " and resid 33   and name HG1 ))
   (( segid "SF1 " and resid 33   and name HE2 ))
 OR { 1408}
   (( segid "SF1 " and resid 123  and name HG1 ))
   (( segid "SF1 " and resid 123  and name HE1 ))
 ASSI { 1411}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 86   and name HE1 ))
      3.200     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.13519E-02 ppm1      3.267 ppm2      0.916 CV     1
 OR { 1411}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 86   and name HE1 ))
 ASSI { 1412}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 86   and name HE2 ))
      3.400     1.400     1.400 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.12434E-02 ppm1      3.102 ppm2      0.919 CV     1
 OR { 1412}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 86   and name HE2 ))
 ASSI { 1413}
   (  segid "SF1 " and resid 42   and name HD1%)
   (( segid "SF1 " and resid 120  and name HE2 ))
      2.700     0.900     0.900 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.17797E-02 ppm1      2.969 ppm2      0.600 CV     1
 OR { 1413}
   (  segid "SF1 " and resid 42   and name HD1%)
   (( segid "SF1 " and resid 120  and name HE1 ))
 OR { 1413}
   (  segid "SF1 " and resid 88   and name HD2%)
   (( segid "SF1 " and resid 93   and name HD1 ))
 ASSI { 1417}
   (( segid "SF1 " and resid 42   and name HB2 ))
   (( segid "SF1 " and resid 120  and name HE2 ))
      3.800     1.800     1.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.38216E-03 ppm1      2.968 ppm2      0.872 CV     1
 OR { 1417}
   (( segid "SF1 " and resid 42   and name HB2 ))
   (( segid "SF1 " and resid 120  and name HE1 ))
 OR { 1417}
   (( segid "SF1 " and resid 92   and name HB1 ))
   (( segid "SF1 " and resid 93   and name HD1 ))
 OR { 1417}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 120  and name HE1 ))
 OR { 1417}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 120  and name HE2 ))
 OR { 1417}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 93   and name HD1 ))
 ASSI { 1421}
   (( segid "SF1 " and resid 108  and name HB1 ))
   (( segid "SF1 " and resid 108  and name HE1 ))
      3.400     1.500     1.500 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.10952E-02 ppm1      2.739 ppm2      1.670 CV     1
 OR { 1421}
   (( segid "SF1 " and resid 108  and name HB1 ))
   (( segid "SF1 " and resid 108  and name HE2 ))
 OR { 1421}
   (( segid "SF1 " and resid 80   and name HB2 ))
   (( segid "SF1 " and resid 61   and name HB2 ))
 ASSI { 1442}
   (( segid "SF1 " and resid 57   and name HD21))
   (( segid "SF1 " and resid 59   and name HE2 ))
      3.300     1.300     1.300 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.22816E-02 ppm1      2.914 ppm2      7.726 CV     1
 OR { 1442}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 59   and name HE2 ))
 OR { 1442}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 59   and name HE1 ))
 OR { 1442}
   (( segid "SF1 " and resid 57   and name HD21))
   (( segid "SF1 " and resid 59   and name HE1 ))
 ASSI { 1443}
   (( segid "SF1 " and resid 57   and name HD22))
   (( segid "SF1 " and resid 59   and name HE2 ))
      3.400     1.400     1.400 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.45404E-03 ppm1      2.914 ppm2      7.246 CV     1
 OR { 1443}
   (( segid "SF1 " and resid 57   and name HD22))
   (( segid "SF1 " and resid 59   and name HE1 ))
 OR { 1443}
   (  segid "SF1 " and resid 50   and name HE% )
   (( segid "SF1 " and resid 59   and name HE2 ))
 OR { 1443}
   (  segid "SF1 " and resid 50   and name HE% )
   (( segid "SF1 " and resid 59   and name HE1 ))
 ASSI { 1446}
   (( segid "SF1 " and resid 73   and name HB1 ))
   (( segid "SF1 " and resid 73   and name HE2 ))
      2.600     0.900     0.900 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.62172E-02 ppm1      2.930 ppm2      1.787 CV     1
 OR { 1446}
   (( segid "SF1 " and resid 73   and name HB2 ))
   (( segid "SF1 " and resid 73   and name HE2 ))
 OR { 1446}
   (( segid "SF1 " and resid 124  and name HB1 ))
   (( segid "SF1 " and resid 124  and name HE1 ))
 OR { 1446}
   (( segid "SF1 " and resid 73   and name HB1 ))
   (( segid "SF1 " and resid 73   and name HE1 ))
 OR { 1446}
   (( segid "SF1 " and resid 73   and name HB2 ))
   (( segid "SF1 " and resid 73   and name HE1 ))
 OR { 1446}
   (( segid "SF1 " and resid 124  and name HB1 ))
   (( segid "SF1 " and resid 124  and name HE2 ))
 OR { 1446}
   (( segid "SF1 " and resid 114  and name HB1 ))
   (( segid "SF1 " and resid 114  and name HE2 ))
 OR { 1446}
   (( segid "SF1 " and resid 114  and name HB1 ))
   (( segid "SF1 " and resid 114  and name HE1 ))
 ASSI { 1447}
   (( segid "SF1 " and resid 70   and name HD1 ))
   (( segid "SF1 " and resid 70   and name HE2 ))
      1.800     0.400     0.400 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.30003E-01 ppm1      2.920 ppm2      1.594 CV     1
 OR { 1447}
   (( segid "SF1 " and resid 70   and name HD2 ))
   (( segid "SF1 " and resid 70   and name HE1 ))
 OR { 1447}
   (( segid "SF1 " and resid 73   and name HD1 ))
   (( segid "SF1 " and resid 73   and name HE2 ))
 OR { 1447}
   (( segid "SF1 " and resid 70   and name HD1 ))
   (( segid "SF1 " and resid 70   and name HE1 ))
 OR { 1447}
   (( segid "SF1 " and resid 73   and name HD1 ))
   (( segid "SF1 " and resid 73   and name HE1 ))
 OR { 1447}
   (( segid "SF1 " and resid 73   and name HD2 ))
   (( segid "SF1 " and resid 73   and name HE2 ))
 OR { 1447}
   (( segid "SF1 " and resid 70   and name HD2 ))
   (( segid "SF1 " and resid 70   and name HE2 ))
 ASSI { 1448}
   (( segid "SF1 " and resid 70   and name HG1 ))
   (( segid "SF1 " and resid 70   and name HE1 ))
      2.200     0.600     0.600 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.14945E-01 ppm1      2.934 ppm2      1.341 CV     1
 OR { 1448}
   (( segid "SF1 " and resid 73   and name HG2 ))
   (( segid "SF1 " and resid 73   and name HE2 ))
 OR { 1448}
   (( segid "SF1 " and resid 70   and name HG1 ))
   (( segid "SF1 " and resid 70   and name HE2 ))
 OR { 1448}
   (( segid "SF1 " and resid 114  and name HG2 ))
   (( segid "SF1 " and resid 114  and name HE1 ))
 OR { 1448}
   (( segid "SF1 " and resid 114  and name HG2 ))
   (( segid "SF1 " and resid 114  and name HE2 ))
 OR { 1448}
   (( segid "SF1 " and resid 73   and name HG2 ))
   (( segid "SF1 " and resid 73   and name HE1 ))
 OR { 1448}
   (( segid "SF1 " and resid 73   and name HG1 ))
   (( segid "SF1 " and resid 73   and name HE1 ))
 ASSI { 1450}
   (( segid "SF1 " and resid 116  and name HN  ))
   (( segid "SF1 " and resid 116  and name HB1 ))
      2.700     0.900     0.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.45233E-02 ppm1      2.821 ppm2      8.226 CV     1
 OR { 1450}
   (( segid "SF1 " and resid 117  and name HN  ))
   (( segid "SF1 " and resid 116  and name HB1 ))
 ASSI { 1453}
   (( segid "SF1 " and resid 115  and name HB2 ))
   (( segid "SF1 " and resid 116  and name HB1 ))
      3.700     1.700     1.700 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.75294E-03 ppm1      2.830 ppm2      1.855 CV     1
 OR { 1453}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (( segid "SF1 " and resid 116  and name HB1 ))
 OR { 1453}
   (( segid "SF1 " and resid 115  and name HB1 ))
   (( segid "SF1 " and resid 116  and name HB1 ))
 ASSI { 1456}
   (( segid "SF1 " and resid 117  and name HN  ))
   (( segid "SF1 " and resid 116  and name HB2 ))
      2.400     0.700     0.700 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.60461E-02 ppm1      2.735 ppm2      8.230 CV     1
 OR { 1456}
   (( segid "SF1 " and resid 116  and name HN  ))
   (( segid "SF1 " and resid 116  and name HB2 ))
 ASSI { 1462}
   (( segid "SF1 " and resid 50   and name HB1 ))
   (( segid "SF1 " and resid 50   and name HB2 ))
      2.000     0.500     0.500 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.47229E-02 ppm1      2.892 ppm2      3.344 CV     1
 OR { 1462}
   (( segid "SF1 " and resid 51   and name HB1 ))
   (( segid "SF1 " and resid 51   and name HB2 ))
 ASSI { 1465}
   (  segid "SF1 " and resid 92   and name HE% )
   (( segid "SF1 " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.13233E-02 ppm1      2.901 ppm2      1.726 CV     1
 OR { 1465}
   (( segid "SF1 " and resid 53   and name HB2 ))
   (( segid "SF1 " and resid 50   and name HB2 ))
 ASSI { 1467}
   (( segid "SF1 " and resid 51   and name HN  ))
   (( segid "SF1 " and resid 50   and name HB1 ))
      2.900     1.000     1.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.15914E-02 ppm1      3.345 ppm2      9.089 CV     1
 OR { 1467}
   (( segid "SF1 " and resid 51   and name HN  ))
   (( segid "SF1 " and resid 51   and name HB1 ))
 ASSI { 1470}
   (  segid "SF1 " and resid 92   and name HE% )
   (( segid "SF1 " and resid 51   and name HB1 ))
      3.200     1.200     1.200 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.16142E-02 ppm1      3.351 ppm2      1.735 CV     1
 OR { 1470}
   (( segid "SF1 " and resid 48   and name HB1 ))
   (( segid "SF1 " and resid 51   and name HB1 ))
 ASSI { 1489}
   (( segid "SF1 " and resid 108  and name HN  ))
   (( segid "SF1 " and resid 107  and name HB2 ))
      3.200     1.300     1.300 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.21104E-02 ppm1      2.948 ppm2      8.169 CV     1
 OR { 1489}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 107  and name HB2 ))
 ASSI { 1493}
   (( segid "SF1 " and resid 75   and name HE21))
   (( segid "SF1 " and resid 74   and name HB  ))
      3.400     3.400     2.600 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.34281E-03 ppm1      4.200 ppm2      7.523 CV     1
 OR { 1493}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 74   and name HB  ))
 ASSI { 1506}
   (( segid "SF1 " and resid 55   and name HN  ))
   (( segid "SF1 " and resid 54   and name HB  ))
      2.400     0.700     0.700 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.45746E-02 ppm1      3.528 ppm2      7.613 CV     1
 OR { 1506}
   (( segid "SF1 " and resid 54   and name HN  ))
   (( segid "SF1 " and resid 54   and name HB  ))
 ASSI { 1512}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 57   and name HB1 ))
      3.200     1.200     1.200 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.26181E-02 ppm1      2.808 ppm2      7.729 CV     1
 OR { 1512}
   (( segid "SF1 " and resid 57   and name HD21))
   (( segid "SF1 " and resid 57   and name HB1 ))
 ASSI { 1515}
   (( segid "SF1 " and resid 57   and name HN  ))
   (( segid "SF1 " and resid 57   and name HB1 ))
      3.500     1.500     1.500 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.21618E-02 ppm1      2.808 ppm2      6.770 CV     1
 OR { 1515}
   (( segid "SF1 " and resid 23   and name HD22))
   (( segid "SF1 " and resid 23   and name HB1 ))
 ASSI { 1520}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 57   and name HB2 ))
      2.800     1.000     1.000 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.13519E-02 ppm1      2.392 ppm2      7.732 CV     1
 OR { 1520}
   (( segid "SF1 " and resid 57   and name HD21))
   (( segid "SF1 " and resid 57   and name HB2 ))
 ASSI { 1530}
   (( segid "SF1 " and resid 86   and name HN  ))
   (  segid "SF1 " and resid 71   and name HD1%)
      4.400     2.500     1.600 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.33882E-03 ppm1      0.450 ppm2      7.961 CV     1
 OR { 1530}
   (( segid "SF1 " and resid 76   and name HN  ))
   (  segid "SF1 " and resid 71   and name HD1%)
 ASSI { 1537}
   (( segid "SF1 " and resid 82   and name HB2 ))
   (  segid "SF1 " and resid 71   and name HD1%)
      2.600     0.900     0.900 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.43863E-02 ppm1      0.446 ppm2      2.795 CV     1
 OR { 1537}
   (( segid "SF1 " and resid 79   and name HB1 ))
   (  segid "SF1 " and resid 71   and name HD1%)
 ASSI { 1538}
   (( segid "SF1 " and resid 69   and name HB2 ))
   (  segid "SF1 " and resid 71   and name HD1%)
      3.200     1.300     1.300 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.15287E-02 ppm1      0.449 ppm2      2.562 CV     1
 OR { 1538}
   (( segid "SF1 " and resid 72   and name HB2 ))
   (  segid "SF1 " and resid 71   and name HD1%)
 ASSI { 1539}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (  segid "SF1 " and resid 71   and name HD1%)
      4.100     2.100     1.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.57612E-03 ppm1      0.447 ppm2      2.353 CV     1
 OR { 1539}
   (( segid "SF1 " and resid 83   and name HD1 ))
   (  segid "SF1 " and resid 71   and name HD1%)
 ASSI { 1541}
   (( segid "SF1 " and resid 75   and name HB2 ))
   (  segid "SF1 " and resid 71   and name HD1%)
      3.100     1.200     1.200 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.23843E-02 ppm1      0.448 ppm2      1.805 CV     1
 OR { 1541}
   (( segid "SF1 " and resid 76   and name HB1 ))
   (  segid "SF1 " and resid 71   and name HD1%)
 ASSI { 1543}
   (( segid "SF1 " and resid 83   and name HG1 ))
   (  segid "SF1 " and resid 71   and name HD1%)
      3.500     1.500     1.500 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.10267E-02 ppm1      0.448 ppm2      1.178 CV     1
 OR { 1543}
   (( segid "SF1 " and resid 76   and name HB2 ))
   (  segid "SF1 " and resid 71   and name HD1%)
 ASSI { 1563}
   (  segid "SF1 " and resid 112  and name HE% )
   (( segid "SF1 " and resid 109  and name HB2 ))
      3.800     1.800     1.800 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.42552E-03 ppm1      2.499 ppm2      1.852 CV     1
 OR { 1563}
   (( segid "SF1 " and resid 93   and name HG1 ))
   (( segid "SF1 " and resid 109  and name HB2 ))
 OR { 1563}
   (( segid "SF1 " and resid 106  and name HG2 ))
   (( segid "SF1 " and resid 109  and name HB2 ))
 OR { 1563}
   (( segid "SF1 " and resid 111  and name HG2 ))
   (( segid "SF1 " and resid 109  and name HB2 ))
 ASSI { 1572}
   (( segid "SF1 " and resid 54   and name HN  ))
   (( segid "SF1 " and resid 54   and name HA  ))
      3.000     1.100     1.100 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.16827E-02 ppm1      3.149 ppm2      7.609 CV     1
 OR { 1572}
   (( segid "SF1 " and resid 55   and name HN  ))
   (( segid "SF1 " and resid 54   and name HA  ))
 ASSI { 1585}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 113  and name HB1 ))
      3.300     1.400     1.400 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.17226E-02 ppm1      2.738 ppm2      7.760 CV     1
 OR { 1585}
   (( segid "SF1 " and resid 113  and name HN  ))
   (( segid "SF1 " and resid 113  and name HB1 ))
 ASSI { 1602}
   (( segid "SF1 " and resid 113  and name HN  ))
   (( segid "SF1 " and resid 113  and name HB2 ))
      2.800     1.000     1.000 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.13747E-02 ppm1      2.373 ppm2      7.743 CV     1
 OR { 1602}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 113  and name HB2 ))
 ASSI { 1635}
   (( segid "SF1 " and resid 86   and name HD1 ))
   (( segid "SF1 " and resid 71   and name HB  ))
      3.000     1.100     1.100 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.21960E-02 ppm1      2.000 ppm2      1.798 CV     1
 OR { 1635}
   (( segid "SF1 " and resid 76   and name HB1 ))
   (( segid "SF1 " and resid 71   and name HB  ))
 ASSI { 1658}
   (( segid "SF1 " and resid 73   and name HA  ))
   (( segid "SF1 " and resid 30   and name HB1 ))
      5.000     3.100     1.000 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.26580E-03 ppm1      2.723 ppm2      3.775 CV     1
 OR { 1658}
   (( segid "SF1 " and resid 31   and name HA2 ))
   (( segid "SF1 " and resid 30   and name HB1 ))
 ASSI { 1659}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 111  and name HA  ))
      3.300     1.400     1.400 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.86131E-03 ppm1      4.182 ppm2      7.775 CV     1
 OR { 1659}
   (( segid "SF1 " and resid 113  and name HN  ))
   (( segid "SF1 " and resid 111  and name HA  ))
 ASSI { 1669}
   (( segid "SF1 " and resid 82   and name HB2 ))
   (( segid "SF1 " and resid 82   and name HA  ))
      3.400     1.500     1.500 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.13632E-02 ppm1      4.019 ppm2      2.786 CV     1
 OR { 1669}
   (( segid "SF1 " and resid 79   and name HB1 ))
   (( segid "SF1 " and resid 82   and name HA  ))
 ASSI { 1692}
   (  segid "SF1 " and resid 97   and name HG1%)
   (( segid "SF1 " and resid 56   and name HG2 ))
      3.200     1.200     1.200 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.11351E-02 ppm1      2.143 ppm2      0.819 CV     1
 OR { 1692}
   (( segid "SF1 " and resid 48   and name HG2 ))
   (( segid "SF1 " and resid 45   and name HG2 ))
 ASSI { 1696}
   (( segid "SF1 " and resid 55   and name HB  ))
   (( segid "SF1 " and resid 56   and name HG1 ))
      3.400     1.500     1.500 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.11351E-02 ppm1      2.614 ppm2      1.512 CV     1
 OR { 1696}
   (( segid "SF1 " and resid 52   and name HG1 ))
   (( segid "SF1 " and resid 56   and name HG1 ))
 ASSI { 1703}
   (( segid "SF1 " and resid 29   and name HB  ))
   (( segid "SF1 " and resid 87   and name HA  ))
      3.000     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.26809E-02 ppm1      3.826 ppm2      3.012 CV     1
 OR { 1703}
   (( segid "SF1 " and resid 47   and name HB1 ))
   (( segid "SF1 " and resid 87   and name HA  ))
 ASSI { 1707}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 121  and name HG1 ))
      2.900     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.44092E-02 ppm1      2.434 ppm2      7.874 CV     1
 OR { 1707}
   (( segid "SF1 " and resid 122  and name HN  ))
   (( segid "SF1 " and resid 122  and name HG1 ))
 OR { 1707}
   (( segid "SF1 " and resid 74   and name HN  ))
   (( segid "SF1 " and resid 75   and name HG1 ))
 OR { 1707}
   (( segid "SF1 " and resid 122  and name HN  ))
   (( segid "SF1 " and resid 121  and name HG1 ))
 ASSI { 1708}
   (( segid "SF1 " and resid 121  and name HA  ))
   (( segid "SF1 " and resid 121  and name HG1 ))
      3.300     1.300     1.300 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.15116E-02 ppm1      2.442 ppm2      4.203 CV     1
 OR { 1708}
   (( segid "SF1 " and resid 122  and name HA  ))
   (( segid "SF1 " and resid 122  and name HG1 ))
 ASSI { 1710}
   (( segid "SF1 " and resid 122  and name HE21))
   (( segid "SF1 " and resid 122  and name HG1 ))
      3.500     1.500     1.500 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.76432E-03 ppm1      2.434 ppm2      7.416 CV     1
 OR { 1710}
   (( segid "SF1 " and resid 121  and name HE21))
   (( segid "SF1 " and resid 121  and name HG1 ))
 ASSI { 1711}
   (( segid "SF1 " and resid 75   and name HE22))
   (( segid "SF1 " and resid 75   and name HG1 ))
      4.200     2.200     1.800 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.78717E-03 ppm1      2.428 ppm2      6.674 CV     1
 OR { 1711}
   (( segid "SF1 " and resid 72   and name HN  ))
   (( segid "SF1 " and resid 75   and name HG1 ))
 ASSI { 1713}
   (( segid "SF1 " and resid 117  and name HG2 ))
   (( segid "SF1 " and resid 121  and name HG1 ))
      3.000     1.100     1.100 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.19279E-02 ppm1      2.439 ppm2      1.624 CV     1
 OR { 1713}
   (( segid "SF1 " and resid 70   and name HB1 ))
   (( segid "SF1 " and resid 75   and name HG1 ))
 OR { 1713}
   (( segid "SF1 " and resid 70   and name HB2 ))
   (( segid "SF1 " and resid 75   and name HG1 ))
 OR { 1713}
   (( segid "SF1 " and resid 119  and name HB2 ))
   (( segid "SF1 " and resid 122  and name HG1 ))
 ASSI { 1714}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 75   and name HG1 ))
      4.000     2.000     2.000 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.48826E-03 ppm1      2.428 ppm2      1.188 CV     1
 OR { 1714}
   (( segid "SF1 " and resid 76   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HG1 ))
 ASSI { 1718}
   (( segid "SF1 " and resid 75   and name HE22))
   (( segid "SF1 " and resid 75   and name HG2 ))
      4.200     2.200     1.800 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.83277E-03 ppm1      2.342 ppm2      6.682 CV     1
 OR { 1718}
   (( segid "SF1 " and resid 72   and name HN  ))
   (( segid "SF1 " and resid 75   and name HG2 ))
 ASSI { 1721}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 75   and name HG2 ))
      3.900     1.900     1.900 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.84420E-03 ppm1      2.339 ppm2      1.177 CV     1
 OR { 1721}
   (( segid "SF1 " and resid 88   and name HG  ))
   (( segid "SF1 " and resid 92   and name HG1 ))
 OR { 1721}
   (( segid "SF1 " and resid 76   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HG2 ))
 ASSI { 1722}
   (( segid "SF1 " and resid 92   and name HB1 ))
   (( segid "SF1 " and resid 92   and name HG1 ))
      2.900     1.000     1.000 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.19165E-02 ppm1      2.331 ppm2      0.902 CV     1
 OR { 1722}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 92   and name HG1 ))
 ASSI { 1724}
   (( segid "SF1 " and resid 122  and name HE21))
   (( segid "SF1 " and resid 122  and name HG2 ))
      3.300     1.400     1.400 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.68449E-03 ppm1      2.388 ppm2      7.398 CV     1
 OR { 1724}
   (( segid "SF1 " and resid 121  and name HE21))
   (( segid "SF1 " and resid 121  and name HG2 ))
 ASSI { 1727}
   (( segid "SF1 " and resid 85   and name HE21))
   (( segid "SF1 " and resid 85   and name HG1 ))
      2.900     1.000     1.000 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.29889E-02 ppm1      2.109 ppm2      7.291 CV     1
 OR { 1727}
   (  segid "SF1 " and resid 84   and name HD% )
   (( segid "SF1 " and resid 85   and name HG1 ))
 ASSI { 1734}
   (( segid "SF1 " and resid 85   and name HE21))
   (( segid "SF1 " and resid 85   and name HG2 ))
      2.700     0.900     0.900 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.22246E-02 ppm1      1.950 ppm2      7.291 CV     1
 OR { 1734}
   (  segid "SF1 " and resid 84   and name HD% )
   (( segid "SF1 " and resid 85   and name HG2 ))
 ASSI { 1740}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 121  and name HG2 ))
      2.900     1.100     1.100 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.28406E-02 ppm1      2.374 ppm2      7.881 CV     1
 OR { 1740}
   (( segid "SF1 " and resid 122  and name HN  ))
   (( segid "SF1 " and resid 122  and name HG2 ))
 OR { 1740}
   (( segid "SF1 " and resid 74   and name HN  ))
   (( segid "SF1 " and resid 75   and name HG1 ))
 OR { 1740}
   (( segid "SF1 " and resid 122  and name HN  ))
   (( segid "SF1 " and resid 121  and name HG2 ))
 ASSI { 1757}
   (  segid "SF1 " and resid 50   and name HD% )
   (( segid "SF1 " and resid 51   and name HA  ))
      3.400     1.500     1.500 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.78717E-03 ppm1      3.727 ppm2      7.617 CV     1
 OR { 1757}
   (( segid "SF1 " and resid 54   and name HN  ))
   (( segid "SF1 " and resid 51   and name HA  ))
 ASSI { 1761}
   (( segid "SF1 " and resid 124  and name HG2 ))
   (( segid "SF1 " and resid 124  and name HB1 ))
      1.900     0.400     0.400 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.25154E-01 ppm1      1.833 ppm2      1.426 CV     1
 OR { 1761}
   (( segid "SF1 " and resid 120  and name HG2 ))
   (( segid "SF1 " and resid 120  and name HB1 ))
 OR { 1761}
   (( segid "SF1 " and resid 124  and name HG1 ))
   (( segid "SF1 " and resid 124  and name HB1 ))
 OR { 1761}
   (( segid "SF1 " and resid 120  and name HG2 ))
   (( segid "SF1 " and resid 120  and name HB2 ))
 ASSI { 1778}
   (( segid "SF1 " and resid 86   and name HN  ))
   (( segid "SF1 " and resid 86   and name HB2 ))
      2.500     0.800     0.800 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.40612E-02 ppm1      1.833 ppm2      8.012 CV     1
 OR { 1778}
   (( segid "SF1 " and resid 123  and name HN  ))
   (( segid "SF1 " and resid 123  and name HB1 ))
 ASSI { 1779}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 120  and name HB1 ))
      2.200     0.600     0.600 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.92977E-02 ppm1      1.880 ppm2      7.877 CV     1
 OR { 1779}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 120  and name HB2 ))
 OR { 1779}
   (( segid "SF1 " and resid 121  and name HN  ))
   (( segid "SF1 " and resid 120  and name HB1 ))
 ASSI { 1780}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 114  and name HB1 ))
      2.100     0.600     0.600 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.13804E-01 ppm1      1.798 ppm2      7.776 CV     1
 OR { 1780}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 114  and name HB2 ))
 OR { 1780}
   (( segid "SF1 " and resid 34   and name HN  ))
   (( segid "SF1 " and resid 33   and name HB1 ))
 ASSI { 1781}
   (( segid "SF1 " and resid 36   and name HN  ))
   (( segid "SF1 " and resid 34   and name HB  ))
      2.600     0.900     0.900 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.33140E-02 ppm1      1.871 ppm2      7.274 CV     1
 OR { 1781}
   (( segid "SF1 " and resid 102  and name HN  ))
   (( segid "SF1 " and resid 102  and name HB2 ))
 ASSI { 1784}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 73   and name HB1 ))
      3.700     1.700     1.700 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.69587E-03 ppm1      1.798 ppm2      8.631 CV     1
 OR { 1784}
   (( segid "SF1 " and resid 32   and name HN  ))
   (( segid "SF1 " and resid 33   and name HB1 ))
 ASSI { 1785}
   (( segid "SF1 " and resid 123  and name HA  ))
   (( segid "SF1 " and resid 123  and name HB2 ))
      2.400     0.700     0.700 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.56297E-02 ppm1      1.799 ppm2      4.236 CV     1
 OR { 1785}
   (( segid "SF1 " and resid 123  and name HA  ))
   (( segid "SF1 " and resid 123  and name HB1 ))
 OR { 1785}
   (( segid "SF1 " and resid 33   and name HA  ))
   (( segid "SF1 " and resid 33   and name HB1 ))
 ASSI { 1788}
   (( segid "SF1 " and resid 120  and name HA  ))
   (( segid "SF1 " and resid 120  and name HB1 ))
      2.500     0.800     0.800 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.45518E-02 ppm1      1.879 ppm2      4.101 CV     1
 OR { 1788}
   (( segid "SF1 " and resid 120  and name HA  ))
   (( segid "SF1 " and resid 120  and name HB2 ))
 OR { 1788}
   (( segid "SF1 " and resid 102  and name HA  ))
   (( segid "SF1 " and resid 102  and name HB2 ))
 ASSI { 1790}
   (( segid "SF1 " and resid 73   and name HE2 ))
   (( segid "SF1 " and resid 73   and name HB1 ))
      2.700     0.900     0.900 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.49625E-02 ppm1      1.799 ppm2      2.934 CV     1
 OR { 1790}
   (( segid "SF1 " and resid 73   and name HE2 ))
   (( segid "SF1 " and resid 73   and name HB2 ))
 OR { 1790}
   (( segid "SF1 " and resid 73   and name HE1 ))
   (( segid "SF1 " and resid 73   and name HB1 ))
 OR { 1790}
   (( segid "SF1 " and resid 73   and name HE1 ))
   (( segid "SF1 " and resid 73   and name HB2 ))
 OR { 1790}
   (( segid "SF1 " and resid 114  and name HE2 ))
   (( segid "SF1 " and resid 114  and name HB2 ))
 OR { 1790}
   (( segid "SF1 " and resid 114  and name HE2 ))
   (( segid "SF1 " and resid 114  and name HB1 ))
 OR { 1790}
   (( segid "SF1 " and resid 114  and name HE1 ))
   (( segid "SF1 " and resid 114  and name HB1 ))
 ASSI { 1798}
   (( segid "SF1 " and resid 64   and name HN  ))
   (( segid "SF1 " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.31657E-02 ppm1      4.297 ppm2      9.284 CV     1
 OR { 1798}
   (( segid "SF1 " and resid 65   and name HN  ))
   (( segid "SF1 " and resid 64   and name HA  ))
 ASSI { 1843}
   (( segid "SF1 " and resid 111  and name HG1 ))
   (( segid "SF1 " and resid 111  and name HB1 ))
      1.900     0.500     0.500 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.17968E-01 ppm1      2.339 ppm2      2.012 CV     1
 OR { 1843}
   (( segid "SF1 " and resid 112  and name HG1 ))
   (( segid "SF1 " and resid 112  and name HB2 ))
 OR { 1843}
   (( segid "SF1 " and resid 112  and name HG2 ))
   (( segid "SF1 " and resid 112  and name HB2 ))
 ASSI { 1860}
   (( segid "SF1 " and resid 112  and name HN  ))
   (( segid "SF1 " and resid 111  and name HB1 ))
      3.900     1.900     1.900 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      2.340 ppm2      7.400 CV     1
 OR { 1860}
   (( segid "SF1 " and resid 112  and name HN  ))
   (( segid "SF1 " and resid 112  and name HB2 ))
 ASSI { 1862}
   (( segid "SF1 " and resid 69   and name HA  ))
   (( segid "SF1 " and resid 70   and name HB1 ))
      3.900     1.900     1.900 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.10495E-02 ppm1      1.639 ppm2      3.842 CV     1
 OR { 1862}
   (( segid "SF1 " and resid 71   and name HA  ))
   (( segid "SF1 " and resid 70   and name HB1 ))
 OR { 1862}
   (( segid "SF1 " and resid 69   and name HA  ))
   (( segid "SF1 " and resid 70   and name HB2 ))
 ASSI { 1883}
   (( segid "SF1 " and resid 103  and name HN  ))
   (( segid "SF1 " and resid 102  and name HB2 ))
      3.800     1.800     1.800 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      1.861 ppm2      8.340 CV     1
 OR { 1883}
   (( segid "SF1 " and resid 85   and name HN  ))
   (( segid "SF1 " and resid 86   and name HB2 ))
 ASSI { 1893}
   (( segid "SF1 " and resid 34   and name HN  ))
   (  segid "SF1 " and resid 34   and name HG2%)
      2.500     0.800     0.800 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.46830E-02 ppm1      0.618 ppm2      7.732 CV     1
 OR { 1893}
   (( segid "SF1 " and resid 97   and name HN  ))
   (  segid "SF1 " and resid 97   and name HG2%)
 ASSI { 1910}
   (( segid "SF1 " and resid 77   and name HD1 ))
   (( segid "SF1 " and resid 77   and name HE1 ))
      2.100     0.600     0.600 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.13176E-01 ppm1      3.031 ppm2      1.752 CV     1
 OR { 1910}
   (( segid "SF1 " and resid 77   and name HD1 ))
   (( segid "SF1 " and resid 77   and name HE2 ))
 OR { 1910}
   (( segid "SF1 " and resid 123  and name HB2 ))
   (( segid "SF1 " and resid 123  and name HE1 ))
 ASSI { 1918}
   (( segid "SF1 " and resid 77   and name HE1 ))
   (( segid "SF1 " and resid 77   and name HD1 ))
      2.300     0.700     0.700 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.65595E-02 ppm1      1.747 ppm2      3.027 CV     1
 OR { 1918}
   (( segid "SF1 " and resid 77   and name HE2 ))
   (( segid "SF1 " and resid 77   and name HD1 ))
 OR { 1918}
   (( segid "SF1 " and resid 93   and name HD1 ))
   (( segid "SF1 " and resid 93   and name HB1 ))
 ASSI { 1935}
   (( segid "SF1 " and resid 76   and name HD1 ))
   (( segid "SF1 " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.11237E-02 ppm1      1.954 ppm2      2.916 CV     1
 OR { 1935}
   (( segid "SF1 " and resid 32   and name HB2 ))
   (( segid "SF1 " and resid 30   and name HB2 ))
 ASSI { 1936}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      1.960 ppm2      0.851 CV     1
 OR { 1936}
   (( segid "SF1 " and resid 83   and name HD2 ))
   (( segid "SF1 " and resid 30   and name HB2 ))
 ASSI { 1937}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 30   and name HB1 ))
      3.500     1.500     1.500 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.95257E-03 ppm1      2.713 ppm2      0.849 CV     1
 OR { 1937}
   (( segid "SF1 " and resid 83   and name HD2 ))
   (( segid "SF1 " and resid 30   and name HB1 ))
 ASSI { 1952}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 28   and name HA  ))
      2.900     1.100     1.100 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.10552E-02 ppm1      4.469 ppm2      0.902 CV     1
 OR { 1952}
   (  segid "SF1 " and resid 26   and name HD1%)
   (( segid "SF1 " and resid 28   and name HA  ))
 ASSI { 1957}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (( segid "SF1 " and resid 87   and name HA  ))
      3.600     1.600     1.600 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.65026E-03 ppm1      3.826 ppm2      2.318 CV     1
 OR { 1957}
   (( segid "SF1 " and resid 90   and name HB  ))
   (( segid "SF1 " and resid 87   and name HA  ))
 ASSI { 1980}
   (( segid "SF1 " and resid 92   and name HB1 ))
   (( segid "SF1 " and resid 92   and name HG2 ))
      3.200     1.300     1.300 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.10381E-02 ppm1      1.886 ppm2      0.890 CV     1
 OR { 1980}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 92   and name HG2 ))
 ASSI { 1983}
   (  segid "SF1 " and resid 118  and name HB% )
   (( segid "SF1 " and resid 121  and name HG1 ))
      3.800     1.800     1.800 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.69018E-03 ppm1      2.429 ppm2      1.438 CV     1
 OR { 1983}
   (( segid "SF1 " and resid 120  and name HG2 ))
   (( segid "SF1 " and resid 121  and name HG1 ))
 OR { 1983}
   (  segid "SF1 " and resid 118  and name HB% )
   (( segid "SF1 " and resid 122  and name HG1 ))
 ASSI { 1984}
   (( segid "SF1 " and resid 41   and name HG  ))
   (( segid "SF1 " and resid 92   and name HG1 ))
      3.500     1.600     1.600 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.10096E-02 ppm1      2.356 ppm2      1.421 CV     1
 OR { 1984}
   (( segid "SF1 " and resid 120  and name HG2 ))
   (( segid "SF1 " and resid 121  and name HG2 ))
 ASSI { 1991}
   (( segid "SF1 " and resid 121  and name HB2 ))
   (( segid "SF1 " and resid 121  and name HG1 ))
      2.000     0.500     0.500 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.22531E-01 ppm1      2.434 ppm2      2.107 CV     1
 OR { 1991}
   (( segid "SF1 " and resid 121  and name HB1 ))
   (( segid "SF1 " and resid 121  and name HG1 ))
 OR { 1991}
   (( segid "SF1 " and resid 122  and name HB1 ))
   (( segid "SF1 " and resid 122  and name HG1 ))
 ASSI { 1999}
   (( segid "SF1 " and resid 121  and name HE22))
   (( segid "SF1 " and resid 121  and name HG1 ))
      4.700     2.800     1.300 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.34965E-03 ppm1      2.440 ppm2      6.792 CV     1
 OR { 1999}
   (( segid "SF1 " and resid 122  and name HE22))
   (( segid "SF1 " and resid 122  and name HG1 ))
 ASSI { 2012}
   (  segid "SF1 " and resid 96   and name HB% )
   (( segid "SF1 " and resid 40   and name HA1 ))
      3.500     1.500     1.500 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.89554E-03 ppm1      4.485 ppm2      1.810 CV     1
 OR { 2012}
   (( segid "SF1 " and resid 93   and name HG1 ))
   (( segid "SF1 " and resid 40   and name HA1 ))
 OR { 2012}
   (( segid "SF1 " and resid 88   and name HB1 ))
   (( segid "SF1 " and resid 91   and name HA1 ))
 ASSI { 2017}
   (  segid "SF1 " and resid 92   and name HE% )
   (( segid "SF1 " and resid 92   and name HA  ))
      5.200     3.300     0.800 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.24356E-03 ppm1      4.242 ppm2      1.730 CV     1
 OR { 2017}
   (( segid "SF1 " and resid 93   and name HB1 ))
   (( segid "SF1 " and resid 92   and name HA  ))
 ASSI { 2025}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.44719E-03 ppm1      4.871 ppm2      0.852 CV     1
 OR { 2025}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 30   and name HA  ))
 ASSI { 2030}
   (( segid "SF1 " and resid 77   and name HE1 ))
   (( segid "SF1 " and resid 77   and name HB1 ))
      3.100     1.200     1.200 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.21903E-02 ppm1      1.799 ppm2      3.038 CV     1
 OR { 2030}
   (( segid "SF1 " and resid 77   and name HE2 ))
   (( segid "SF1 " and resid 77   and name HB1 ))
 OR { 2030}
   (( segid "SF1 " and resid 123  and name HE2 ))
   (( segid "SF1 " and resid 123  and name HB1 ))
 OR { 2030}
   (( segid "SF1 " and resid 123  and name HE1 ))
   (( segid "SF1 " and resid 123  and name HB1 ))
 OR { 2030}
   (( segid "SF1 " and resid 123  and name HE1 ))
   (( segid "SF1 " and resid 123  and name HB2 ))
 ASSI { 2031}
   (( segid "SF1 " and resid 115  and name HA  ))
   (( segid "SF1 " and resid 114  and name HB1 ))
      2.800     1.000     1.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.33311E-02 ppm1      1.799 ppm2      4.073 CV     1
 OR { 2031}
   (( segid "SF1 " and resid 115  and name HA  ))
   (( segid "SF1 " and resid 114  and name HB2 ))
 OR { 2031}
   (( segid "SF1 " and resid 125  and name HA  ))
   (( segid "SF1 " and resid 124  and name HB1 ))
 ASSI { 2062}
   (( segid "SF1 " and resid 84   and name HB2 ))
   (( segid "SF1 " and resid 81   and name HA  ))
      3.600     1.700     1.700 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.89554E-03 ppm1      4.165 ppm2      3.563 CV     1
 OR { 2062}
   (( segid "SF1 " and resid 61   and name HB1 ))
   (( segid "SF1 " and resid 81   and name HA  ))
 ASSI { 2064}
   (( segid "SF1 " and resid 93   and name HG1 ))
   (( segid "SF1 " and resid 93   and name HA  ))
      2.900     1.100     1.100 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.35593E-02 ppm1      4.531 ppm2      1.831 CV     1
 OR { 2064}
   (( segid "SF1 " and resid 94   and name HB1 ))
   (( segid "SF1 " and resid 93   and name HA  ))
 ASSI { 2079}
   (( segid "SF1 " and resid 20   and name HN  ))
   (( segid "SF1 " and resid 19   and name HB1 ))
      4.000     2.000     2.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.81566E-03 ppm1      2.925 ppm2      7.849 CV     1
 OR { 2079}
   (( segid "SF1 " and resid 110  and name HN  ))
   (( segid "SF1 " and resid 109  and name HB1 ))
 ASSI { 2084}
   (( segid "SF1 " and resid 93   and name HG1 ))
   (( segid "SF1 " and resid 95   and name HG1 ))
      3.500     1.500     1.500 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.12663E-02 ppm1      2.438 ppm2      1.796 CV     1
 OR { 2084}
   (  segid "SF1 " and resid 96   and name HB% )
   (( segid "SF1 " and resid 95   and name HG1 ))
 OR { 2084}
   (( segid "SF1 " and resid 94   and name HB1 ))
   (( segid "SF1 " and resid 95   and name HG1 ))
 ASSI { 2085}
   (( segid "SF1 " and resid 93   and name HG1 ))
   (( segid "SF1 " and resid 95   and name HG2 ))
      3.500     1.500     1.500 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.14887E-02 ppm1      2.380 ppm2      1.791 CV     1
 OR { 2085}
   (( segid "SF1 " and resid 94   and name HB1 ))
   (( segid "SF1 " and resid 95   and name HG2 ))
 OR { 2085}
   (  segid "SF1 " and resid 96   and name HB% )
   (( segid "SF1 " and resid 95   and name HG2 ))
 OR { 2085}
   (( segid "SF1 " and resid 114  and name HB2 ))
   (( segid "SF1 " and resid 113  and name HB2 ))
 ASSI { 2107}
   (  segid "SF1 " and resid 39   and name HE% )
   (( segid "SF1 " and resid 52   and name HD2 ))
      3.800     1.800     1.800 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.42723E-03 ppm1      1.474 ppm2      7.129 CV     1
 OR { 2107}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 108  and name HD1 ))
 OR { 2107}
   (  segid "SF1 " and resid 51   and name HD% )
   (( segid "SF1 " and resid 52   and name HD2 ))
 ASSI { 2116}
   (( segid "SF1 " and resid 96   and name HN  ))
   (( segid "SF1 " and resid 96   and name HA  ))
      3.100     1.200     1.200 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.14830E-02 ppm1      4.563 ppm2      7.722 CV     1
 OR { 2116}
   (( segid "SF1 " and resid 97   and name HN  ))
   (( segid "SF1 " and resid 96   and name HA  ))
 ASSI { 2117}
   (( segid "SF1 " and resid 108  and name HN  ))
   (( segid "SF1 " and resid 107  and name HA  ))
      3.300     1.300     1.300 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.13576E-02 ppm1      4.846 ppm2      8.166 CV     1
 OR { 2117}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 107  and name HA  ))
 ASSI { 2119}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 96   and name HA  ))
      4.000     2.000     2.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.42837E-03 ppm1      4.570 ppm2      7.139 CV     1
 OR { 2119}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 96   and name HA  ))
 OR { 2119}
   (  segid "SF1 " and resid 39   and name HE% )
   (( segid "SF1 " and resid 96   and name HA  ))
 ASSI { 2137}
   (( segid "SF1 " and resid 43   and name HN  ))
   (  segid "SF1 " and resid 42   and name HD2%)
      4.100     2.100     1.900 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.20820E-03 ppm1     -0.261 ppm2      8.013 CV     1
 OR { 2137}
   (( segid "SF1 " and resid 26   and name HN  ))
   (  segid "SF1 " and resid 42   and name HD2%)
 OR { 2137}
   (( segid "SF1 " and resid 25   and name HN  ))
   (  segid "SF1 " and resid 42   and name HD2%)
 ASSI { 2140}
   (( segid "SF1 " and resid 93   and name HG1 ))
   (( segid "SF1 " and resid 93   and name HD1 ))
      2.400     0.700     0.700 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.11408E-01 ppm1      2.972 ppm2      1.834 CV     1
 OR { 2140}
   (( segid "SF1 " and resid 124  and name HB1 ))
   (( segid "SF1 " and resid 124  and name HE1 ))
 OR { 2140}
   (( segid "SF1 " and resid 124  and name HB1 ))
   (( segid "SF1 " and resid 124  and name HE2 ))
 OR { 2140}
   (( segid "SF1 " and resid 123  and name HB1 ))
   (( segid "SF1 " and resid 123  and name HE2 ))
 OR { 2140}
   (( segid "SF1 " and resid 123  and name HB1 ))
   (( segid "SF1 " and resid 123  and name HE1 ))
 OR { 2140}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 120  and name HE2 ))
 OR { 2140}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 120  and name HE1 ))
 ASSI { 2143}
   (( segid "SF1 " and resid 80   and name HA  ))
   (( segid "SF1 " and resid 80   and name HG2 ))
      3.900     1.900     1.900 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.11351E-02 ppm1      1.867 ppm2      3.929 CV     1
 OR { 2143}
   (( segid "SF1 " and resid 110  and name HA2 ))
   (( segid "SF1 " and resid 111  and name HG2 ))
 ASSI { 2156}
   (( segid "SF1 " and resid 80   and name HD1 ))
   (( segid "SF1 " and resid 80   and name HG2 ))
      3.200     1.300     1.300 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.16884E-02 ppm1      1.868 ppm2      4.056 CV     1
 OR { 2156}
   (( segid "SF1 " and resid 94   and name HA  ))
   (( segid "SF1 " and resid 94   and name HG  ))
 ASSI { 2164}
   (( segid "SF1 " and resid 123  and name HA  ))
   (( segid "SF1 " and resid 123  and name HB1 ))
      2.700     0.900     0.900 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.27607E-02 ppm1      1.858 ppm2      4.240 CV     1
 OR { 2164}
   (( segid "SF1 " and resid 33   and name HA  ))
   (( segid "SF1 " and resid 33   and name HB1 ))
 ASSI { 2170}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 77   and name HD2 ))
      3.900     1.900     1.900 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.90123E-03 ppm1      1.629 ppm2      7.530 CV     1
 OR { 2170}
   (( segid "SF1 " and resid 58   and name HN  ))
   (( segid "SF1 " and resid 56   and name HB2 ))
 ASSI { 2171}
   (( segid "SF1 " and resid 57   and name HD21))
   (( segid "SF1 " and resid 56   and name HB2 ))
      3.400     1.500     1.500 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.68449E-03 ppm1      1.631 ppm2      7.738 CV     1
 OR { 2171}
   (( segid "SF1 " and resid 76   and name HE  ))
   (( segid "SF1 " and resid 77   and name HD2 ))
 ASSI { 2173}
   (  segid "SF1 " and resid 99   and name HB% )
   (( segid "SF1 " and resid 56   and name HG2 ))
      3.000     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.17797E-02 ppm1      2.133 ppm2      1.500 CV     1
 OR { 2173}
   (( segid "SF1 " and resid 52   and name HG1 ))
   (( segid "SF1 " and resid 56   and name HG2 ))
 ASSI {    2}
   (( segid "SF1 " and resid 27   and name HA  ))
   (( segid "SF1 " and resid 27   and name HN  ))
      2.900     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.20338E-02 ppm1      9.649 ppm2      4.252 CV     1
 OR {    2}
   (( segid "SF1 " and resid 31   and name HA1 ))
   (( segid "SF1 " and resid 27   and name HN  ))
 ASSI {   15}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.21200E-02 ppm1      9.645 ppm2      0.719 CV     1
 OR {   15}
   (  segid "SF1 " and resid 34   and name HG1%)
   (( segid "SF1 " and resid 27   and name HN  ))
 ASSI {   31}
   (( segid "SF1 " and resid 82   and name HB2 ))
   (( segid "SF1 " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak    31 spectrum    1 weight  0.10000E+01 volume  0.44813E-02 ppm1      9.837 ppm2      2.818 CV     1
 OR {   31}
   (( segid "SF1 " and resid 79   and name HB1 ))
   (( segid "SF1 " and resid 82   and name HN  ))
 OR {   31}
   (( segid "SF1 " and resid 81   and name HB2 ))
   (( segid "SF1 " and resid 82   and name HN  ))
 OR {   31}
   (( segid "SF1 " and resid 79   and name HB2 ))
   (( segid "SF1 " and resid 82   and name HN  ))
 ASSI {   51}
   (( segid "SF1 " and resid 112  and name HG2 ))
   (( segid "SF1 " and resid 110  and name HN  ))
      3.500     1.600     1.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.11461E-02 ppm1      7.861 ppm2      2.022 CV     1
 OR {   51}
   (( segid "SF1 " and resid 106  and name HB1 ))
   (( segid "SF1 " and resid 110  and name HN  ))
 OR {   51}
   (( segid "SF1 " and resid 112  and name HG1 ))
   (( segid "SF1 " and resid 110  and name HN  ))
 ASSI {   68}
   (( segid "SF1 " and resid 45   and name HA  ))
   (( segid "SF1 " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak    68 spectrum    1 weight  0.10000E+01 volume  0.24259E-02 ppm1      9.187 ppm2      3.683 CV     1
 OR {   68}
   (( segid "SF1 " and resid 44   and name HB1 ))
   (( segid "SF1 " and resid 45   and name HN  ))
 ASSI {  113}
   (( segid "SF1 " and resid 51   and name HB2 ))
   (( segid "SF1 " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.22967E-02 ppm1      9.098 ppm2      2.922 CV     1
 OR {  113}
   (( segid "SF1 " and resid 50   and name HB2 ))
   (( segid "SF1 " and resid 51   and name HN  ))
 ASSI {  114}
   (( segid "SF1 " and resid 53   and name HB2 ))
   (( segid "SF1 " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.55586E-03 ppm1      9.104 ppm2      1.756 CV     1
 OR {  114}
   (( segid "SF1 " and resid 48   and name HB1 ))
   (( segid "SF1 " and resid 51   and name HN  ))
 OR {  114}
   (( segid "SF1 " and resid 48   and name HG1 ))
   (( segid "SF1 " and resid 51   and name HN  ))
 OR {  114}
   (( segid "SF1 " and resid 53   and name HB1 ))
   (( segid "SF1 " and resid 51   and name HN  ))
 ASSI {  141}
   (  segid "SF1 " and resid 51   and name HE% )
   (( segid "SF1 " and resid 94   and name HN  ))
      4.600     2.600     1.400 peak   141 spectrum    1 weight  0.10000E+01 volume  0.46967E-03 ppm1      8.845 ppm2      6.855 CV     1
 OR {  141}
   (  segid "SF1 " and resid 39   and name HD% )
   (( segid "SF1 " and resid 94   and name HN  ))
 ASSI {  144}
   (( segid "SF1 " and resid 57   and name HD21))
   (( segid "SF1 " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.24949E-02 ppm1      6.790 ppm2      7.738 CV     1
 OR {  144}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 57   and name HN  ))
 ASSI {  165}
   (( segid "SF1 " and resid 76   and name HD1 ))
   (( segid "SF1 " and resid 74   and name HN  ))
      3.300     1.300     1.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.41280E-03 ppm1      7.900 ppm2      2.965 CV     1
 OR {  165}
   (( segid "SF1 " and resid 73   and name HE2 ))
   (( segid "SF1 " and resid 74   and name HN  ))
 OR {  165}
   (( segid "SF1 " and resid 73   and name HE1 ))
   (( segid "SF1 " and resid 74   and name HN  ))
 ASSI {  168}
   (( segid "SF1 " and resid 73   and name HB2 ))
   (( segid "SF1 " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.39298E-02 ppm1      7.900 ppm2      1.811 CV     1
 OR {  168}
   (( segid "SF1 " and resid 73   and name HB1 ))
   (( segid "SF1 " and resid 74   and name HN  ))
 OR {  168}
   (( segid "SF1 " and resid 75   and name HB2 ))
   (( segid "SF1 " and resid 74   and name HN  ))
 ASSI {  169}
   (( segid "SF1 " and resid 73   and name HD2 ))
   (( segid "SF1 " and resid 74   and name HN  ))
      3.200     3.200     2.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.58602E-03 ppm1      7.898 ppm2      1.599 CV     1
 OR {  169}
   (( segid "SF1 " and resid 73   and name HD1 ))
   (( segid "SF1 " and resid 74   and name HN  ))
 OR {  169}
   (( segid "SF1 " and resid 71   and name HG11))
   (( segid "SF1 " and resid 74   and name HN  ))
 ASSI {  198}
   (( segid "SF1 " and resid 98   and name HB1 ))
   (( segid "SF1 " and resid 101  and name HN  ))
      3.700     1.800     1.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.10471E-02 ppm1      7.601 ppm2      2.187 CV     1
 OR {  198}
   (( segid "SF1 " and resid 101  and name HG1 ))
   (( segid "SF1 " and resid 101  and name HN  ))
 ASSI {  237}
   (( segid "SF1 " and resid 90   and name HB  ))
   (( segid "SF1 " and resid 90   and name HN  ))
      3.800     1.800     1.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.10988E-02 ppm1      8.302 ppm2      2.355 CV     1
 OR {  237}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (( segid "SF1 " and resid 90   and name HN  ))
 ASSI {  256}
   (( segid "SF1 " and resid 14   and name HN  ))
   (( segid "SF1 " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.45244E-02 ppm1      7.905 ppm2      8.455 CV     1
 OR {  256}
   (( segid "SF1 " and resid 16   and name HN  ))
   (( segid "SF1 " and resid 15   and name HN  ))
 ASSI {  275}
   (( segid "SF1 " and resid 76   and name HD2 ))
   (( segid "SF1 " and resid 72   and name HN  ))
      4.000     2.000     2.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.38823E-03 ppm1      6.674 ppm2      2.743 CV     1
 OR {  275}
   (( segid "SF1 " and resid 30   and name HB1 ))
   (( segid "SF1 " and resid 72   and name HN  ))
 ASSI {  288}
   (( segid "SF1 " and resid 43   and name HN  ))
   (( segid "SF1 " and resid 36   and name HN  ))
      4.200     2.200     1.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.34558E-03 ppm1      7.243 ppm2      8.036 CV     1
 OR {  288}
   (( segid "SF1 " and resid 38   and name HE1 ))
   (( segid "SF1 " and resid 36   and name HN  ))
 ASSI {  294}
   (  segid "SF1 " and resid 88   and name HD1%)
   (( segid "SF1 " and resid 94   and name HN  ))
      4.100     2.100     1.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.56876E-03 ppm1      8.851 ppm2      0.792 CV     1
 OR {  294}
   (  segid "SF1 " and resid 55   and name HG1%)
   (( segid "SF1 " and resid 94   and name HN  ))
 ASSI {  304}
   (( segid "SF1 " and resid 31   and name HA1 ))
   (( segid "SF1 " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.87904E-03 ppm1      7.590 ppm2      4.238 CV     1
 OR {  304}
   (( segid "SF1 " and resid 27   and name HA  ))
   (( segid "SF1 " and resid 30   and name HN  ))
 ASSI {  312}
   (( segid "SF1 " and resid 63   and name HN  ))
   (( segid "SF1 " and resid 62   and name HN  ))
      3.800     1.800     1.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.12065E-02 ppm1      8.695 ppm2      8.452 CV     1
 OR {  312}
   (( segid "SF1 " and resid 61   and name HN  ))
   (( segid "SF1 " and resid 62   and name HN  ))
 ASSI {  353}
   (( segid "SF1 " and resid 93   and name HA  ))
   (( segid "SF1 " and resid 95   and name HN  ))
      3.900     1.900     1.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.13530E-02 ppm1      9.750 ppm2      4.549 CV     1
 OR {  353}
   (( segid "SF1 " and resid 96   and name HA  ))
   (( segid "SF1 " and resid 95   and name HN  ))
 ASSI {  358}
   (( segid "SF1 " and resid 94   and name HB1 ))
   (( segid "SF1 " and resid 95   and name HN  ))
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.45675E-02 ppm1      9.751 ppm2      1.827 CV     1
 OR {  358}
   (  segid "SF1 " and resid 96   and name HB% )
   (( segid "SF1 " and resid 95   and name HN  ))
 ASSI {  372}
   (( segid "SF1 " and resid 53   and name HA  ))
   (( segid "SF1 " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.27362E-02 ppm1      8.047 ppm2      4.003 CV     1
 OR {  372}
   (( segid "SF1 " and resid 50   and name HA  ))
   (( segid "SF1 " and resid 53   and name HN  ))
 ASSI {  386}
   (( segid "SF1 " and resid 76   and name HG1 ))
   (( segid "SF1 " and resid 77   and name HN  ))
      2.200     0.600     0.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.93936E-02 ppm1      7.558 ppm2      1.686 CV     1
 OR {  386}
   (( segid "SF1 " and resid 77   and name HB2 ))
   (( segid "SF1 " and resid 77   and name HN  ))
 ASSI {  389}
   (( segid "SF1 " and resid 77   and name HB1 ))
   (( segid "SF1 " and resid 77   and name HN  ))
      2.900     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.49984E-02 ppm1      7.560 ppm2      1.811 CV     1
 OR {  389}
   (( segid "SF1 " and resid 76   and name HB1 ))
   (( segid "SF1 " and resid 77   and name HN  ))
 ASSI {  401}
   (  segid "SF1 " and resid 84   and name HD% )
   (( segid "SF1 " and resid 85   and name HN  ))
      3.600     1.700     1.700 peak   401 spectrum    1 weight  0.10000E+01 volume  0.10428E-02 ppm1      8.350 ppm2      7.332 CV     1
 OR {  401}
   (( segid "SF1 " and resid 85   and name HE21))
   (( segid "SF1 " and resid 85   and name HN  ))
 ASSI {  403}
   (( segid "SF1 " and resid 81   and name HA  ))
   (( segid "SF1 " and resid 85   and name HN  ))
      4.400     2.400     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.40805E-03 ppm1      8.357 ppm2      4.185 CV     1
 OR {  403}
   (( segid "SF1 " and resid 86   and name HA  ))
   (( segid "SF1 " and resid 85   and name HN  ))
 ASSI {  416}
   (( segid "SF1 " and resid 78   and name HA  ))
   (( segid "SF1 " and resid 78   and name HN  ))
      2.200     0.600     0.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.12625E-01 ppm1      7.618 ppm2      4.044 CV     1
 OR {  416}
   (( segid "SF1 " and resid 54   and name HG1 ))
   (( segid "SF1 " and resid 54   and name HN  ))
 ASSI {  420}
   (( segid "SF1 " and resid 78   and name HG1 ))
   (( segid "SF1 " and resid 78   and name HN  ))
      2.300     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.89625E-02 ppm1      7.619 ppm2      1.710 CV     1
 OR {  420}
   (( segid "SF1 " and resid 53   and name HB2 ))
   (( segid "SF1 " and resid 54   and name HN  ))
 OR {  420}
   (( segid "SF1 " and resid 78   and name HG2 ))
   (( segid "SF1 " and resid 78   and name HN  ))
 OR {  420}
   (( segid "SF1 " and resid 53   and name HB1 ))
   (( segid "SF1 " and resid 54   and name HN  ))
 ASSI {  425}
   (( segid "SF1 " and resid 53   and name HG1 ))
   (( segid "SF1 " and resid 54   and name HN  ))
      3.400     1.500     1.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.24259E-02 ppm1      7.621 ppm2      1.570 CV     1
 OR {  425}
   (( segid "SF1 " and resid 53   and name HG2 ))
   (( segid "SF1 " and resid 54   and name HN  ))
 OR {  425}
   (( segid "SF1 " and resid 55   and name HB  ))
   (( segid "SF1 " and resid 54   and name HN  ))
 ASSI {  429}
   (( segid "SF1 " and resid 87   and name HB1 ))
   (( segid "SF1 " and resid 88   and name HN  ))
      2.900     1.000     1.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.35204E-02 ppm1      7.592 ppm2      3.742 CV     1
 OR {  429}
   (( segid "SF1 " and resid 85   and name HA  ))
   (( segid "SF1 " and resid 88   and name HN  ))
 OR {  429}
   (( segid "SF1 " and resid 51   and name HA  ))
   (( segid "SF1 " and resid 54   and name HN  ))
 ASSI {  448}
   (( segid "SF1 " and resid 44   and name HB1 ))
   (( segid "SF1 " and resid 44   and name HN  ))
      3.400     1.500     1.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.81439E-03 ppm1      8.841 ppm2      3.665 CV     1
 OR {  448}
   (( segid "SF1 " and resid 34   and name HA  ))
   (( segid "SF1 " and resid 44   and name HN  ))
 ASSI {  449}
   (( segid "SF1 " and resid 43   and name HG1 ))
   (( segid "SF1 " and resid 44   and name HN  ))
      4.100     2.100     1.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.75838E-03 ppm1      8.839 ppm2      4.334 CV     1
 OR {  449}
   (( segid "SF1 " and resid 46   and name HB1 ))
   (( segid "SF1 " and resid 44   and name HN  ))
 ASSI {  459}
   (( segid "SF1 " and resid 34   and name HB  ))
   (( segid "SF1 " and resid 34   and name HN  ))
      2.600     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.65067E-02 ppm1      7.788 ppm2      1.822 CV     1
 OR {  459}
   (( segid "SF1 " and resid 33   and name HB1 ))
   (( segid "SF1 " and resid 34   and name HN  ))
 ASSI {  479}
   (( segid "SF1 " and resid 101  and name HG1 ))
   (( segid "SF1 " and resid 102  and name HN  ))
      3.500     1.500     1.500 peak   479 spectrum    1 weight  0.10000E+01 volume  0.12324E-02 ppm1      7.294 ppm2      2.180 CV     1
 OR {  479}
   (( segid "SF1 " and resid 98   and name HB1 ))
   (( segid "SF1 " and resid 102  and name HN  ))
 OR {  479}
   (( segid "SF1 " and resid 98   and name HG1 ))
   (( segid "SF1 " and resid 102  and name HN  ))
 ASSI {  485}
   (  segid "SF1 " and resid 96   and name HB% )
   (( segid "SF1 " and resid 39   and name HN  ))
      3.500     1.600     1.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.35721E-03 ppm1      9.839 ppm2      1.832 CV     1
 OR {  485}
   (  segid "SF1 " and resid 112  and name HE% )
   (( segid "SF1 " and resid 39   and name HN  ))
 OR {  485}
   (( segid "SF1 " and resid 106  and name HG1 ))
   (( segid "SF1 " and resid 39   and name HN  ))
 OR {  485}
   (( segid "SF1 " and resid 106  and name HG2 ))
   (( segid "SF1 " and resid 39   and name HN  ))
 ASSI {  539}
   (( segid "SF1 " and resid 92   and name HG2 ))
   (( segid "SF1 " and resid 41   and name HN  ))
      3.700     1.700     1.700 peak   539 spectrum    1 weight  0.10000E+01 volume  0.54723E-03 ppm1      7.667 ppm2      1.882 CV     1
 OR {  539}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (( segid "SF1 " and resid 41   and name HN  ))
 ASSI {  555}
   (( segid "SF1 " and resid 86   and name HA  ))
   (( segid "SF1 " and resid 89   and name HN  ))
      2.600     0.900     0.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.55586E-02 ppm1      8.631 ppm2      4.200 CV     1
 OR {  555}
   (( segid "SF1 " and resid 74   and name HA  ))
   (( segid "SF1 " and resid 75   and name HN  ))
 OR {  555}
   (( segid "SF1 " and resid 74   and name HB  ))
   (( segid "SF1 " and resid 75   and name HN  ))
 ASSI {  560}
   (( segid "SF1 " and resid 75   and name HB2 ))
   (( segid "SF1 " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.67220E-02 ppm1      8.633 ppm2      1.827 CV     1
 OR {  560}
   (( segid "SF1 " and resid 88   and name HB1 ))
   (( segid "SF1 " and resid 89   and name HN  ))
 OR {  560}
   (( segid "SF1 " and resid 73   and name HB2 ))
   (( segid "SF1 " and resid 75   and name HN  ))
 ASSI {  562}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 75   and name HN  ))
      3.200     1.200     1.200 peak   562 spectrum    1 weight  0.10000E+01 volume  0.49122E-02 ppm1      8.628 ppm2      1.228 CV     1
 OR {  562}
   (  segid "SF1 " and resid 89   and name HG2%)
   (( segid "SF1 " and resid 89   and name HN  ))
 ASSI {  564}
   (  segid "SF1 " and resid 88   and name HD1%)
   (( segid "SF1 " and resid 89   and name HN  ))
      3.300     3.300     2.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.87040E-03 ppm1      8.625 ppm2      0.816 CV     1
 OR {  564}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 89   and name HN  ))
 ASSI {  580}
   (( segid "SF1 " and resid 59   and name HB2 ))
   (( segid "SF1 " and resid 55   and name HN  ))
      2.900     2.900     3.100 peak   580 spectrum    1 weight  0.10000E+01 volume  0.81439E-03 ppm1      7.648 ppm2      0.990 CV     1
 OR {  580}
   (  segid "SF1 " and resid 94   and name HD1%)
   (( segid "SF1 " and resid 55   and name HN  ))
 ASSI {  590}
   (  segid "SF1 " and resid 61   and name HD% )
   (( segid "SF1 " and resid 84   and name HN  ))
      4.600     2.700     1.400 peak   590 spectrum    1 weight  0.10000E+01 volume  0.38091E-03 ppm1      9.238 ppm2      7.106 CV     1
 OR {  590}
   (  segid "SF1 " and resid 51   and name HD% )
   (( segid "SF1 " and resid 84   and name HN  ))
 ASSI {  600}
   (( segid "SF1 " and resid 93   and name HD2 ))
   (( segid "SF1 " and resid 93   and name HN  ))
      4.300     2.300     1.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.98243E-03 ppm1      8.772 ppm2      2.845 CV     1
 OR {  600}
   (( segid "SF1 " and resid 39   and name HB2 ))
   (( segid "SF1 " and resid 93   and name HN  ))
 ASSI {  602}
   (  segid "SF1 " and resid 96   and name HB% )
   (( segid "SF1 " and resid 93   and name HN  ))
      3.000     1.100     1.100 peak   602 spectrum    1 weight  0.10000E+01 volume  0.34773E-02 ppm1      8.772 ppm2      1.845 CV     1
 OR {  602}
   (( segid "SF1 " and resid 93   and name HG1 ))
   (( segid "SF1 " and resid 93   and name HN  ))
 ASSI {  613}
   (( segid "SF1 " and resid 49   and name HA1 ))
   (( segid "SF1 " and resid 50   and name HN  ))
      2.900     1.100     1.100 peak   613 spectrum    1 weight  0.10000E+01 volume  0.18098E-02 ppm1      8.571 ppm2      4.006 CV     1
 OR {  613}
   (( segid "SF1 " and resid 50   and name HA  ))
   (( segid "SF1 " and resid 50   and name HN  ))
 ASSI {  623}
   (( segid "SF1 " and resid 31   and name HA1 ))
   (( segid "SF1 " and resid 32   and name HN  ))
      3.900     1.900     1.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.98243E-03 ppm1      8.644 ppm2      4.238 CV     1
 OR {  623}
   (( segid "SF1 " and resid 27   and name HA  ))
   (( segid "SF1 " and resid 32   and name HN  ))
 ASSI {  669}
   (( segid "SF1 " and resid 80   and name HA  ))
   (( segid "SF1 " and resid 83   and name HN  ))
      3.400     1.500     1.500 peak   669 spectrum    1 weight  0.10000E+01 volume  0.10212E-02 ppm1      8.684 ppm2      3.944 CV     1
 OR {  669}
   (( segid "SF1 " and resid 76   and name HA  ))
   (( segid "SF1 " and resid 83   and name HN  ))
 ASSI {  672}
   (( segid "SF1 " and resid 82   and name HB2 ))
   (( segid "SF1 " and resid 83   and name HN  ))
      2.800     1.000     1.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.17365E-02 ppm1      8.685 ppm2      2.823 CV     1
 OR {  672}
   (( segid "SF1 " and resid 79   and name HB1 ))
   (( segid "SF1 " and resid 83   and name HN  ))
 OR {  672}
   (( segid "SF1 " and resid 79   and name HB2 ))
   (( segid "SF1 " and resid 83   and name HN  ))
 ASSI {  675}
   (( segid "SF1 " and resid 83   and name HG2 ))
   (( segid "SF1 " and resid 83   and name HN  ))
      4.200     2.200     1.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.11591E-02 ppm1      8.688 ppm2      0.888 CV     1
 OR {  675}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 83   and name HN  ))
 ASSI {  687}
   (( segid "SF1 " and resid 9    and name HA  ))
   (( segid "SF1 " and resid 9    and name HN  ))
      2.900     1.000     1.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.27232E-02 ppm1      8.467 ppm2      4.491 CV     1
 OR {  687}
   (( segid "SF1 " and resid 8    and name HA  ))
   (( segid "SF1 " and resid 9    and name HN  ))
 ASSI {  688}
   (( segid "SF1 " and resid 9    and name HB1 ))
   (( segid "SF1 " and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   688 spectrum    1 weight  0.10000E+01 volume  0.16288E-02 ppm1      8.470 ppm2      3.887 CV     1
 OR {  688}
   (( segid "SF1 " and resid 9    and name HB2 ))
   (( segid "SF1 " and resid 9    and name HN  ))
 OR {  688}
   (( segid "SF1 " and resid 8    and name HB1 ))
   (( segid "SF1 " and resid 9    and name HN  ))
 OR {  688}
   (( segid "SF1 " and resid 8    and name HB2 ))
   (( segid "SF1 " and resid 9    and name HN  ))
 ASSI {  700}
   (( segid "SF1 " and resid 102  and name HA  ))
   (( segid "SF1 " and resid 103  and name HN  ))
      2.100     0.600     0.600 peak   700 spectrum    1 weight  0.10000E+01 volume  0.11591E-01 ppm1      8.332 ppm2      4.118 CV     1
 OR {  700}
   (( segid "SF1 " and resid 11   and name HA  ))
   (( segid "SF1 " and resid 12   and name HN  ))
 ASSI {  703}
   (( segid "SF1 " and resid 11   and name HB  ))
   (( segid "SF1 " and resid 12   and name HN  ))
      3.300     1.300     1.300 peak   703 spectrum    1 weight  0.10000E+01 volume  0.20640E-02 ppm1      8.331 ppm2      2.037 CV     1
 OR {  703}
   (( segid "SF1 " and resid 102  and name HB1 ))
   (( segid "SF1 " and resid 103  and name HN  ))
 ASSI {  719}
   (( segid "SF1 " and resid 15   and name HA  ))
   (( segid "SF1 " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.77559E-02 ppm1      8.435 ppm2      4.278 CV     1
 OR {  719}
   (( segid "SF1 " and resid 16   and name HA  ))
   (( segid "SF1 " and resid 16   and name HN  ))
 ASSI {  737}
   (( segid "SF1 " and resid 85   and name HN  ))
   (( segid "SF1 " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.26242E-02 ppm1      7.990 ppm2      8.318 CV     1
 OR {  737}
   (( segid "SF1 " and resid 17   and name HN  ))
   (( segid "SF1 " and resid 18   and name HN  ))
 ASSI {  739}
   (( segid "SF1 " and resid 86   and name HA  ))
   (( segid "SF1 " and resid 86   and name HN  ))
      2.400     0.700     0.700 peak   739 spectrum    1 weight  0.10000E+01 volume  0.73253E-02 ppm1      7.989 ppm2      4.194 CV     1
 OR {  739}
   (( segid "SF1 " and resid 18   and name HA  ))
   (( segid "SF1 " and resid 18   and name HN  ))
 ASSI {  745}
   (( segid "SF1 " and resid 18   and name HG  ))
   (( segid "SF1 " and resid 18   and name HN  ))
      2.200     0.600     0.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.12022E-01 ppm1      7.994 ppm2      1.449 CV     1
 OR {  745}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (( segid "SF1 " and resid 86   and name HN  ))
 ASSI {  767}
   (( segid "SF1 " and resid 20   and name HB2 ))
   (( segid "SF1 " and resid 20   and name HN  ))
      2.600     0.800     0.800 peak   767 spectrum    1 weight  0.10000E+01 volume  0.73253E-02 ppm1      7.857 ppm2      2.979 CV     1
 OR {  767}
   (( segid "SF1 " and resid 19   and name HB1 ))
   (( segid "SF1 " and resid 20   and name HN  ))
 ASSI {  784}
   (( segid "SF1 " and resid 22   and name HN  ))
   (( segid "SF1 " and resid 23   and name HN  ))
      2.900     1.100     1.100 peak   784 spectrum    1 weight  0.10000E+01 volume  0.32963E-02 ppm1      8.385 ppm2      8.184 CV     1
 OR {  784}
   (( segid "SF1 " and resid 24   and name HN  ))
   (( segid "SF1 " and resid 23   and name HN  ))
 ASSI {  788}
   (( segid "SF1 " and resid 39   and name HB2 ))
   (( segid "SF1 " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak   788 spectrum    1 weight  0.10000E+01 volume  0.18528E-02 ppm1      8.383 ppm2      2.799 CV     1
 OR {  788}
   (( segid "SF1 " and resid 23   and name HB1 ))
   (( segid "SF1 " and resid 23   and name HN  ))
 ASSI {  799}
   (( segid "SF1 " and resid 24   and name HB1 ))
   (( segid "SF1 " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak   799 spectrum    1 weight  0.10000E+01 volume  0.32705E-02 ppm1      8.186 ppm2      2.676 CV     1
 OR {  799}
   (( segid "SF1 " and resid 23   and name HB2 ))
   (( segid "SF1 " and resid 24   and name HN  ))
 ASSI {  805}
   (( segid "SF1 " and resid 92   and name HA  ))
   (( segid "SF1 " and resid 92   and name HN  ))
      2.300     0.700     0.700 peak   805 spectrum    1 weight  0.10000E+01 volume  0.75838E-02 ppm1      8.011 ppm2      4.257 CV     1
 OR {  805}
   (( segid "SF1 " and resid 25   and name HA  ))
   (( segid "SF1 " and resid 25   and name HN  ))
 ASSI {  806}
   (( segid "SF1 " and resid 23   and name HB1 ))
   (( segid "SF1 " and resid 25   and name HN  ))
      4.000     2.000     2.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.67220E-03 ppm1      8.017 ppm2      2.806 CV     1
 OR {  806}
   (( segid "SF1 " and resid 39   and name HB2 ))
   (( segid "SF1 " and resid 92   and name HN  ))
 ASSI {  807}
   (( segid "SF1 " and resid 24   and name HB1 ))
   (( segid "SF1 " and resid 25   and name HN  ))
      3.600     1.600     1.600 peak   807 spectrum    1 weight  0.10000E+01 volume  0.16417E-02 ppm1      8.011 ppm2      2.662 CV     1
 OR {  807}
   (( segid "SF1 " and resid 23   and name HB2 ))
   (( segid "SF1 " and resid 25   and name HN  ))
 ASSI {  811}
   (( segid "SF1 " and resid 26   and name HG  ))
   (( segid "SF1 " and resid 25   and name HN  ))
      3.600     1.600     1.600 peak   811 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      8.013 ppm2      1.592 CV     1
 OR {  811}
   (( segid "SF1 " and resid 41   and name HB2 ))
   (( segid "SF1 " and resid 92   and name HN  ))
 OR {  811}
   (( segid "SF1 " and resid 26   and name HB1 ))
   (( segid "SF1 " and resid 25   and name HN  ))
 ASSI {  828}
   (( segid "SF1 " and resid 41   and name HB1 ))
   (( segid "SF1 " and resid 42   and name HN  ))
      3.000     1.100     1.100 peak   828 spectrum    1 weight  0.10000E+01 volume  0.46105E-02 ppm1      8.171 ppm2      1.745 CV     1
 OR {  828}
   (( segid "SF1 " and resid 42   and name HB1 ))
   (( segid "SF1 " and resid 42   and name HN  ))
 ASSI {  853}
   (( segid "SF1 " and resid 51   and name HB2 ))
   (( segid "SF1 " and resid 52   and name HN  ))
      3.500     1.600     1.600 peak   853 spectrum    1 weight  0.10000E+01 volume  0.25767E-02 ppm1      7.952 ppm2      2.917 CV     1
 OR {  853}
   (( segid "SF1 " and resid 76   and name HD1 ))
   (( segid "SF1 " and resid 76   and name HN  ))
 ASSI {  854}
   (( segid "SF1 " and resid 76   and name HD2 ))
   (( segid "SF1 " and resid 76   and name HN  ))
      4.000     2.000     2.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.12366E-02 ppm1      7.952 ppm2      2.693 CV     1
 OR {  854}
   (( segid "SF1 " and resid 52   and name HE2 ))
   (( segid "SF1 " and resid 52   and name HN  ))
 OR {  854}
   (( segid "SF1 " and resid 52   and name HE1 ))
   (( segid "SF1 " and resid 52   and name HN  ))
 ASSI {  858}
   (( segid "SF1 " and resid 76   and name HG1 ))
   (( segid "SF1 " and resid 76   and name HN  ))
      2.900     1.100     1.100 peak   858 spectrum    1 weight  0.10000E+01 volume  0.50843E-02 ppm1      7.964 ppm2      1.724 CV     1
 OR {  858}
   (( segid "SF1 " and resid 52   and name HD1 ))
   (( segid "SF1 " and resid 52   and name HN  ))
 ASSI {  862}
   (( segid "SF1 " and resid 76   and name HA  ))
   (( segid "SF1 " and resid 76   and name HN  ))
      2.800     1.000     1.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.25380E-02 ppm1      7.963 ppm2      3.957 CV     1
 OR {  862}
   (( segid "SF1 " and resid 48   and name HA  ))
   (( segid "SF1 " and resid 52   and name HN  ))
 ASSI {  866}
   (  segid "SF1 " and resid 51   and name HE% )
   (( segid "SF1 " and resid 52   and name HN  ))
      4.500     2.500     1.500 peak   866 spectrum    1 weight  0.10000E+01 volume  0.35807E-03 ppm1      7.956 ppm2      6.853 CV     1
 OR {  866}
   (  segid "SF1 " and resid 39   and name HD% )
   (( segid "SF1 " and resid 52   and name HN  ))
 ASSI {  871}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 109  and name HN  ))
      3.100     1.200     1.200 peak   871 spectrum    1 weight  0.10000E+01 volume  0.14909E-02 ppm1      8.200 ppm2      7.145 CV     1
 OR {  871}
   (( segid "SF1 " and resid 60   and name HD2 ))
   (( segid "SF1 " and resid 60   and name HN  ))
 ASSI {  876}
   (( segid "SF1 " and resid 60   and name HB2 ))
   (( segid "SF1 " and resid 60   and name HN  ))
      2.500     0.800     0.800 peak   876 spectrum    1 weight  0.10000E+01 volume  0.64204E-02 ppm1      8.214 ppm2      2.975 CV     1
 OR {  876}
   (( segid "SF1 " and resid 107  and name HB2 ))
   (( segid "SF1 " and resid 109  and name HN  ))
 ASSI {  891}
   (( segid "SF1 " and resid 70   and name HB1 ))
   (( segid "SF1 " and resid 70   and name HN  ))
      2.000     0.500     0.500 peak   891 spectrum    1 weight  0.10000E+01 volume  0.15512E-01 ppm1      8.328 ppm2      1.654 CV     1
 OR {  891}
   (( segid "SF1 " and resid 70   and name HB2 ))
   (( segid "SF1 " and resid 70   and name HN  ))
 OR {  891}
   (( segid "SF1 " and resid 103  and name HB2 ))
   (( segid "SF1 " and resid 103  and name HN  ))
 ASSI {  895}
   (( segid "SF1 " and resid 110  and name HN  ))
   (( segid "SF1 " and resid 109  and name HN  ))
      2.400     0.700     0.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.46967E-02 ppm1      8.226 ppm2      7.894 CV     1
 OR {  895}
   (( segid "SF1 " and resid 74   and name HN  ))
   (( segid "SF1 " and resid 73   and name HN  ))
 ASSI {  901}
   (( segid "SF1 " and resid 109  and name HB1 ))
   (( segid "SF1 " and resid 109  and name HN  ))
      3.300     1.400     1.400 peak   901 spectrum    1 weight  0.10000E+01 volume  0.29258E-02 ppm1      8.221 ppm2      2.946 CV     1
 OR {  901}
   (( segid "SF1 " and resid 107  and name HB2 ))
   (( segid "SF1 " and resid 109  and name HN  ))
 ASSI {  905}
   (( segid "SF1 " and resid 108  and name HB2 ))
   (( segid "SF1 " and resid 109  and name HN  ))
      3.700     1.700     1.700 peak   905 spectrum    1 weight  0.10000E+01 volume  0.13228E-02 ppm1      8.223 ppm2      1.613 CV     1
 OR {  905}
   (( segid "SF1 " and resid 117  and name HG2 ))
   (( segid "SF1 " and resid 117  and name HN  ))
 OR {  905}
   (( segid "SF1 " and resid 73   and name HD2 ))
   (( segid "SF1 " and resid 73   and name HN  ))
 OR {  905}
   (( segid "SF1 " and resid 73   and name HD1 ))
   (( segid "SF1 " and resid 73   and name HN  ))
 ASSI {  909}
   (( segid "SF1 " and resid 78   and name HA  ))
   (( segid "SF1 " and resid 79   and name HN  ))
      3.000     1.100     1.100 peak   909 spectrum    1 weight  0.10000E+01 volume  0.34946E-02 ppm1      6.895 ppm2      4.046 CV     1
 OR {  909}
   (( segid "SF1 " and resid 80   and name HD1 ))
   (( segid "SF1 " and resid 79   and name HN  ))
 ASSI {  917}
   (( segid "SF1 " and resid 83   and name HN  ))
   (( segid "SF1 " and resid 81   and name HN  ))
      4.100     2.100     1.900 peak   917 spectrum    1 weight  0.10000E+01 volume  0.59034E-03 ppm1      8.528 ppm2      8.695 CV     1
 OR {  917}
   (( segid "SF1 " and resid 62   and name HN  ))
   (( segid "SF1 " and resid 81   and name HN  ))
 ASSI {  919}
   (  segid "SF1 " and resid 61   and name HD% )
   (( segid "SF1 " and resid 81   and name HN  ))
      4.600     2.700     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.44813E-03 ppm1      8.527 ppm2      7.107 CV     1
 OR {  919}
   (  segid "SF1 " and resid 51   and name HD% )
   (( segid "SF1 " and resid 87   and name HN  ))
 ASSI {  920}
   (( segid "SF1 " and resid 81   and name HA  ))
   (( segid "SF1 " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.25509E-02 ppm1      8.530 ppm2      4.176 CV     1
 OR {  920}
   (( segid "SF1 " and resid 86   and name HA  ))
   (( segid "SF1 " and resid 87   and name HN  ))
 ASSI {  926}
   (( segid "SF1 " and resid 80   and name HG1 ))
   (( segid "SF1 " and resid 81   and name HN  ))
      3.100     1.200     1.200 peak   926 spectrum    1 weight  0.10000E+01 volume  0.17580E-02 ppm1      8.530 ppm2      1.888 CV     1
 OR {  926}
   (( segid "SF1 " and resid 80   and name HG2 ))
   (( segid "SF1 " and resid 81   and name HN  ))
 OR {  926}
   (( segid "SF1 " and resid 86   and name HB2 ))
   (( segid "SF1 " and resid 87   and name HN  ))
 ASSI {  931}
   (( segid "SF1 " and resid 83   and name HA  ))
   (( segid "SF1 " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak   931 spectrum    1 weight  0.10000E+01 volume  0.21415E-02 ppm1      7.983 ppm2      3.746 CV     1
 OR {  931}
   (( segid "SF1 " and resid 85   and name HA  ))
   (( segid "SF1 " and resid 86   and name HN  ))
 ASSI {  933}
   (( segid "SF1 " and resid 82   and name HB1 ))
   (( segid "SF1 " and resid 86   and name HN  ))
      3.900     1.900     1.900 peak   933 spectrum    1 weight  0.10000E+01 volume  0.69373E-03 ppm1      7.976 ppm2      3.001 CV     1
 OR {  933}
   (( segid "SF1 " and resid 29   and name HB  ))
   (( segid "SF1 " and resid 86   and name HN  ))
 ASSI {  936}
   (( segid "SF1 " and resid 86   and name HB2 ))
   (( segid "SF1 " and resid 86   and name HN  ))
      2.200     0.600     0.600 peak   936 spectrum    1 weight  0.10000E+01 volume  0.87904E-02 ppm1      7.981 ppm2      1.857 CV     1
 OR {  936}
   (( segid "SF1 " and resid 85   and name HB2 ))
   (( segid "SF1 " and resid 86   and name HN  ))
 ASSI {  939}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 86   and name HN  ))
      3.900     1.900     1.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.14047E-02 ppm1      7.985 ppm2      0.867 CV     1
 OR {  939}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 86   and name HN  ))
 OR {  939}
   (( segid "SF1 " and resid 83   and name HG2 ))
   (( segid "SF1 " and resid 86   and name HN  ))
 ASSI {  940}
   (  segid "SF1 " and resid 88   and name HD2%)
   (( segid "SF1 " and resid 86   and name HN  ))
      3.700     1.700     1.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.42443E-03 ppm1      7.987 ppm2      0.583 CV     1
 OR {  940}
   (( segid "SF1 " and resid 80   and name HB1 ))
   (( segid "SF1 " and resid 86   and name HN  ))
 ASSI {  943}
   (  segid "SF1 " and resid 84   and name HD% )
   (( segid "SF1 " and resid 87   and name HN  ))
      4.700     2.700     1.300 peak   943 spectrum    1 weight  0.10000E+01 volume  0.34084E-03 ppm1      8.517 ppm2      7.337 CV     1
 OR {  943}
   (( segid "SF1 " and resid 85   and name HE21))
   (( segid "SF1 " and resid 87   and name HN  ))
 ASSI {  946}
   (( segid "SF1 " and resid 87   and name HB1 ))
   (( segid "SF1 " and resid 87   and name HN  ))
      3.200     1.300     1.300 peak   946 spectrum    1 weight  0.10000E+01 volume  0.32360E-02 ppm1      8.523 ppm2      3.722 CV     1
 OR {  946}
   (( segid "SF1 " and resid 83   and name HA  ))
   (( segid "SF1 " and resid 87   and name HN  ))
 ASSI {  947}
   (( segid "SF1 " and resid 81   and name HB1 ))
   (( segid "SF1 " and resid 81   and name HN  ))
      2.400     0.700     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.39082E-02 ppm1      8.525 ppm2      3.033 CV     1
 OR {  947}
   (( segid "SF1 " and resid 87   and name HB2 ))
   (( segid "SF1 " and resid 87   and name HN  ))
 ASSI {  949}
   (( segid "SF1 " and resid 80   and name HG2 ))
   (( segid "SF1 " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.22407E-02 ppm1      8.525 ppm2      1.862 CV     1
 OR {  949}
   (( segid "SF1 " and resid 86   and name HB2 ))
   (( segid "SF1 " and resid 87   and name HN  ))
 ASSI {  951}
   (( segid "SF1 " and resid 83   and name HG1 ))
   (( segid "SF1 " and resid 87   and name HN  ))
      5.100     3.300     0.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.19175E-03 ppm1      8.527 ppm2      1.184 CV     1
 OR {  951}
   (( segid "SF1 " and resid 88   and name HG  ))
   (( segid "SF1 " and resid 87   and name HN  ))
 ASSI {  953}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 87   and name HN  ))
      3.400     1.500     1.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.10729E-02 ppm1      8.523 ppm2      0.875 CV     1
 OR {  953}
   (( segid "SF1 " and resid 83   and name HG2 ))
   (( segid "SF1 " and resid 87   and name HN  ))
 OR {  953}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 87   and name HN  ))
 ASSI {  957}
   (( segid "SF1 " and resid 90   and name HA  ))
   (( segid "SF1 " and resid 91   and name HN  ))
      3.200     1.200     1.200 peak   957 spectrum    1 weight  0.10000E+01 volume  0.25509E-02 ppm1      7.155 ppm2      4.247 CV     1
 OR {  957}
   (( segid "SF1 " and resid 92   and name HA  ))
   (( segid "SF1 " and resid 91   and name HN  ))
 ASSI {  959}
   (( segid "SF1 " and resid 90   and name HB  ))
   (( segid "SF1 " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.88762E-03 ppm1      7.156 ppm2      2.352 CV     1
 OR {  959}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (( segid "SF1 " and resid 91   and name HN  ))
 ASSI {  972}
   (( segid "SF1 " and resid 93   and name HG2 ))
   (( segid "SF1 " and resid 92   and name HN  ))
      4.000     2.000     2.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.38737E-03 ppm1      8.004 ppm2      1.489 CV     1
 OR {  972}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (( segid "SF1 " and resid 92   and name HN  ))
 OR {  972}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (( segid "SF1 " and resid 92   and name HN  ))
 ASSI {  976}
   (  segid "SF1 " and resid 39   and name HD% )
   (( segid "SF1 " and resid 96   and name HN  ))
      4.600     2.600     1.400 peak   976 spectrum    1 weight  0.10000E+01 volume  0.49122E-03 ppm1      7.766 ppm2      6.837 CV     1
 OR {  976}
   (  segid "SF1 " and resid 51   and name HE% )
   (( segid "SF1 " and resid 96   and name HN  ))
 ASSI {  984}
   (  segid "SF1 " and resid 97   and name HG2%)
   (( segid "SF1 " and resid 96   and name HN  ))
      3.400     1.400     1.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.57739E-03 ppm1      7.766 ppm2      0.666 CV     1
 OR {  984}
   (( segid "SF1 " and resid 92   and name HB2 ))
   (( segid "SF1 " and resid 96   and name HN  ))
 OR {  984}
   (( segid "SF1 " and resid 108  and name HG2 ))
   (( segid "SF1 " and resid 96   and name HN  ))
 ASSI {  986}
   (( segid "SF1 " and resid 97   and name HA  ))
   (( segid "SF1 " and resid 97   and name HN  ))
      2.800     1.000     1.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.28741E-02 ppm1      7.700 ppm2      4.594 CV     1
 OR {  986}
   (( segid "SF1 " and resid 96   and name HA  ))
   (( segid "SF1 " and resid 97   and name HN  ))
 ASSI {  995}
   (( segid "SF1 " and resid 103  and name HG1 ))
   (( segid "SF1 " and resid 103  and name HN  ))
      2.500     0.800     0.800 peak   995 spectrum    1 weight  0.10000E+01 volume  0.48691E-02 ppm1      8.366 ppm2      1.858 CV     1
 OR {  995}
   (( segid "SF1 " and resid 102  and name HB2 ))
   (( segid "SF1 " and resid 103  and name HN  ))
 ASSI { 1018}
   (( segid "SF1 " and resid 116  and name HA  ))
   (( segid "SF1 " and resid 118  and name HN  ))
      4.200     2.200     1.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.50414E-03 ppm1      7.746 ppm2      4.403 CV     1
 OR { 1018}
   (( segid "SF1 " and resid 109  and name HA  ))
   (( segid "SF1 " and resid 113  and name HN  ))
 ASSI { 1019}
   (( segid "SF1 " and resid 118  and name HA  ))
   (( segid "SF1 " and resid 118  and name HN  ))
      2.600     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.59892E-02 ppm1      7.753 ppm2      4.169 CV     1
 OR { 1019}
   (( segid "SF1 " and resid 119  and name HA  ))
   (( segid "SF1 " and resid 118  and name HN  ))
 ASSI { 1020}
   (( segid "SF1 " and resid 117  and name HA  ))
   (( segid "SF1 " and resid 118  and name HN  ))
      2.700     0.900     0.900 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.42529E-02 ppm1      7.740 ppm2      4.033 CV     1
 OR { 1020}
   (( segid "SF1 " and resid 112  and name HA  ))
   (( segid "SF1 " and resid 113  and name HN  ))
 ASSI { 1021}
   (( segid "SF1 " and resid 113  and name HA  ))
   (( segid "SF1 " and resid 113  and name HN  ))
      2.700     0.900     0.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.32489E-02 ppm1      7.742 ppm2      3.935 CV     1
 OR { 1021}
   (( segid "SF1 " and resid 110  and name HA2 ))
   (( segid "SF1 " and resid 113  and name HN  ))
 ASSI { 1026}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (( segid "SF1 " and resid 118  and name HN  ))
      2.700     0.900     0.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.87040E-02 ppm1      7.750 ppm2      1.857 CV     1
 OR { 1026}
   (( segid "SF1 " and resid 117  and name HG1 ))
   (( segid "SF1 " and resid 118  and name HN  ))
 OR { 1026}
   (( segid "SF1 " and resid 119  and name HB1 ))
   (( segid "SF1 " and resid 118  and name HN  ))
 OR { 1026}
   (( segid "SF1 " and resid 115  and name HB2 ))
   (( segid "SF1 " and resid 118  and name HN  ))
 OR { 1026}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 118  and name HN  ))
 OR { 1026}
   (( segid "SF1 " and resid 115  and name HB1 ))
   (( segid "SF1 " and resid 118  and name HN  ))
 ASSI { 1027}
   (( segid "SF1 " and resid 117  and name HG2 ))
   (( segid "SF1 " and resid 118  and name HN  ))
      3.600     1.600     1.600 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.11979E-02 ppm1      7.751 ppm2      1.642 CV     1
 OR { 1027}
   (( segid "SF1 " and resid 119  and name HB2 ))
   (( segid "SF1 " and resid 118  and name HN  ))
 ASSI { 1031}
   (( segid "SF1 " and resid 114  and name HA  ))
   (( segid "SF1 " and resid 114  and name HN  ))
      2.600     0.900     0.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.41667E-02 ppm1      7.786 ppm2      3.931 CV     1
 OR { 1031}
   (( segid "SF1 " and resid 113  and name HA  ))
   (( segid "SF1 " and resid 114  and name HN  ))
 ASSI { 1040}
   (( segid "SF1 " and resid 114  and name HA  ))
   (( segid "SF1 " and resid 115  and name HN  ))
      3.000     1.100     1.100 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.25422E-02 ppm1      7.827 ppm2      3.929 CV     1
 OR { 1040}
   (( segid "SF1 " and resid 113  and name HA  ))
   (( segid "SF1 " and resid 115  and name HN  ))
 ASSI { 1042}
   (( segid "SF1 " and resid 113  and name HB1 ))
   (( segid "SF1 " and resid 115  and name HN  ))
      4.800     2.900     1.200 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.42486E-03 ppm1      7.824 ppm2      2.740 CV     1
 OR { 1042}
   (( segid "SF1 " and resid 116  and name HB2 ))
   (( segid "SF1 " and resid 115  and name HN  ))
 ASSI { 1049}
   (( segid "SF1 " and resid 113  and name HA  ))
   (( segid "SF1 " and resid 116  and name HN  ))
      3.400     1.400     1.400 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.11074E-02 ppm1      8.235 ppm2      3.929 CV     1
 OR { 1049}
   (( segid "SF1 " and resid 114  and name HA  ))
   (( segid "SF1 " and resid 116  and name HN  ))
 ASSI { 1050}
   (( segid "SF1 " and resid 115  and name HD2 ))
   (( segid "SF1 " and resid 116  and name HN  ))
      3.600     1.600     1.600 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.25380E-03 ppm1      8.235 ppm2      3.195 CV     1
 OR { 1050}
   (( segid "SF1 " and resid 115  and name HD1 ))
   (( segid "SF1 " and resid 116  and name HN  ))
 OR { 1050}
   (( segid "SF1 " and resid 40   and name HA2 ))
   (( segid "SF1 " and resid 116  and name HN  ))
 ASSI { 1061}
   (( segid "SF1 " and resid 108  and name HA  ))
   (( segid "SF1 " and resid 109  and name HN  ))
      3.100     1.200     1.200 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.25854E-02 ppm1      8.200 ppm2      4.141 CV     1
 OR { 1061}
   (( segid "SF1 " and resid 110  and name HA1 ))
   (( segid "SF1 " and resid 109  and name HN  ))
 ASSI { 1063}
   (( segid "SF1 " and resid 60   and name HB2 ))
   (( segid "SF1 " and resid 60   and name HN  ))
      2.900     1.000     1.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.47398E-02 ppm1      8.198 ppm2      2.949 CV     1
 OR { 1063}
   (( segid "SF1 " and resid 109  and name HB1 ))
   (( segid "SF1 " and resid 109  and name HN  ))
 ASSI { 1067}
   (( segid "SF1 " and resid 107  and name HB1 ))
   (( segid "SF1 " and resid 109  and name HN  ))
      4.700     2.800     1.300 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.40590E-03 ppm1      8.194 ppm2      3.514 CV     1
 OR { 1067}
   (( segid "SF1 " and resid 111  and name HD2 ))
   (( segid "SF1 " and resid 109  and name HN  ))
 ASSI { 1073}
   (( segid "SF1 " and resid 19   and name HA  ))
   (( segid "SF1 " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.24906E-02 ppm1      7.952 ppm2      4.438 CV     1
 OR { 1073}
   (( segid "SF1 " and resid 116  and name HA  ))
   (( segid "SF1 " and resid 119  and name HN  ))
 ASSI { 1074}
   (( segid "SF1 " and resid 119  and name HA  ))
   (( segid "SF1 " and resid 119  and name HN  ))
      2.100     0.600     0.600 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.17451E-01 ppm1      7.952 ppm2      4.160 CV     1
 OR { 1074}
   (( segid "SF1 " and resid 118  and name HA  ))
   (( segid "SF1 " and resid 119  and name HN  ))
 ASSI { 1075}
   (( segid "SF1 " and resid 119  and name HB1 ))
   (( segid "SF1 " and resid 119  and name HN  ))
      2.400     2.400     3.600 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.11376E-01 ppm1      7.951 ppm2      1.878 CV     1
 OR { 1075}
   (( segid "SF1 " and resid 120  and name HB1 ))
   (( segid "SF1 " and resid 119  and name HN  ))
 OR { 1075}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 119  and name HN  ))
 ASSI { 1083}
   (( segid "SF1 " and resid 122  and name HG1 ))
   (( segid "SF1 " and resid 122  and name HN  ))
      3.100     1.200     1.200 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.46105E-02 ppm1      7.905 ppm2      2.430 CV     1
 OR { 1083}
   (( segid "SF1 " and resid 121  and name HG1 ))
   (( segid "SF1 " and resid 122  and name HN  ))
 ASSI { 1084}
   (( segid "SF1 " and resid 121  and name HB1 ))
   (( segid "SF1 " and resid 122  and name HN  ))
      2.200     0.600     0.600 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.14219E-01 ppm1      7.903 ppm2      2.069 CV     1
 OR { 1084}
   (( segid "SF1 " and resid 122  and name HB2 ))
   (( segid "SF1 " and resid 122  and name HN  ))
 OR { 1084}
   (( segid "SF1 " and resid 121  and name HB2 ))
   (( segid "SF1 " and resid 122  and name HN  ))
 ASSI { 1086}
   (( segid "SF1 " and resid 119  and name HB2 ))
   (( segid "SF1 " and resid 120  and name HN  ))
      2.600     0.800     0.800 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.71958E-02 ppm1      7.884 ppm2      1.627 CV     1
 OR { 1086}
   (( segid "SF1 " and resid 120  and name HD2 ))
   (( segid "SF1 " and resid 120  and name HN  ))
 OR { 1086}
   (( segid "SF1 " and resid 120  and name HD1 ))
   (( segid "SF1 " and resid 120  and name HN  ))
 ASSI { 1087}
   (( segid "SF1 " and resid 120  and name HG2 ))
   (( segid "SF1 " and resid 120  and name HN  ))
      3.300     1.400     1.400 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.34471E-02 ppm1      7.888 ppm2      1.467 CV     1
 OR { 1087}
   (  segid "SF1 " and resid 118  and name HB% )
   (( segid "SF1 " and resid 120  and name HN  ))
 ASSI { 1093}
   (( segid "SF1 " and resid 119  and name HB2 ))
   (( segid "SF1 " and resid 121  and name HN  ))
      3.300     1.400     1.400 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.13013E-02 ppm1      7.881 ppm2      1.630 CV     1
 OR { 1093}
   (( segid "SF1 " and resid 117  and name HG2 ))
   (( segid "SF1 " and resid 121  and name HN  ))
 ASSI { 1096}
   (( segid "SF1 " and resid 122  and name HA  ))
   (( segid "SF1 " and resid 122  and name HN  ))
      2.100     0.600     0.600 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.16977E-01 ppm1      7.904 ppm2      4.228 CV     1
 OR { 1096}
   (( segid "SF1 " and resid 121  and name HA  ))
   (( segid "SF1 " and resid 122  and name HN  ))
 ASSI { 1098}
   (( segid "SF1 " and resid 123  and name HA  ))
   (( segid "SF1 " and resid 123  and name HN  ))
      2.300     0.700     0.700 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.10083E-01 ppm1      8.034 ppm2      4.255 CV     1
 OR { 1098}
   (( segid "SF1 " and resid 122  and name HA  ))
   (( segid "SF1 " and resid 123  and name HN  ))
 ASSI { 1103}
   (( segid "SF1 " and resid 122  and name HB2 ))
   (( segid "SF1 " and resid 123  and name HN  ))
      3.300     1.400     1.400 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.20941E-02 ppm1      8.034 ppm2      2.057 CV     1
 OR { 1103}
   (( segid "SF1 " and resid 121  and name HB2 ))
   (( segid "SF1 " and resid 123  and name HN  ))
 ASSI { 1107}
   (( segid "SF1 " and resid 124  and name HB1 ))
   (( segid "SF1 " and resid 124  and name HN  ))
      3.100     1.200     1.200 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.23355E-02 ppm1      8.135 ppm2      1.848 CV     1
 OR { 1107}
   (( segid "SF1 " and resid 123  and name HB1 ))
   (( segid "SF1 " and resid 124  and name HN  ))
 ASSI { 1108}
   (( segid "SF1 " and resid 124  and name HB2 ))
   (( segid "SF1 " and resid 124  and name HN  ))
      2.700     0.900     0.900 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.40892E-02 ppm1      8.136 ppm2      1.731 CV     1
 OR { 1108}
   (( segid "SF1 " and resid 123  and name HB2 ))
   (( segid "SF1 " and resid 124  and name HN  ))
 ASSI { 1109}
   (( segid "SF1 " and resid 123  and name HG1 ))
   (( segid "SF1 " and resid 124  and name HN  ))
      3.400     1.400     1.400 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.15641E-02 ppm1      8.134 ppm2      1.437 CV     1
 OR { 1109}
   (( segid "SF1 " and resid 124  and name HG1 ))
   (( segid "SF1 " and resid 124  and name HN  ))
 OR { 1109}
   (( segid "SF1 " and resid 123  and name HG2 ))
   (( segid "SF1 " and resid 124  and name HN  ))
 OR { 1109}
   (( segid "SF1 " and resid 124  and name HG2 ))
   (( segid "SF1 " and resid 124  and name HN  ))
 ASSI { 1118}
   (( segid "SF1 " and resid 117  and name HB1 ))
   (( segid "SF1 " and resid 117  and name HN  ))
      2.600     0.800     0.800 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.49553E-02 ppm1      8.269 ppm2      2.019 CV     1
 OR { 1118}
   (( segid "SF1 " and resid 16   and name HB1 ))
   (( segid "SF1 " and resid 17   and name HN  ))
 ASSI { 1120}
   (( segid "SF1 " and resid 17   and name HB1 ))
   (( segid "SF1 " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.35247E-02 ppm1      8.269 ppm2      2.754 CV     1
 OR { 1120}
   (( segid "SF1 " and resid 116  and name HB2 ))
   (( segid "SF1 " and resid 117  and name HN  ))
 ASSI { 1123}
   (( segid "SF1 " and resid 60   and name HA  ))
   (( segid "SF1 " and resid 60   and name HN  ))
      2.600     0.800     0.800 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.43520E-02 ppm1      8.199 ppm2      4.399 CV     1
 OR { 1123}
   (( segid "SF1 " and resid 109  and name HA  ))
   (( segid "SF1 " and resid 109  and name HN  ))
 ASSI { 1124}
   (( segid "SF1 " and resid 114  and name HA  ))
   (( segid "SF1 " and resid 117  and name HN  ))
      3.100     1.200     1.200 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.17839E-02 ppm1      8.270 ppm2      3.923 CV     1
 OR { 1124}
   (( segid "SF1 " and resid 113  and name HA  ))
   (( segid "SF1 " and resid 117  and name HN  ))
 ASSI { 1136}
   (( segid "SF1 " and resid 46   and name HA  ))
   (( segid "SF1 " and resid 48   and name HN  ))
      3.800     1.800     1.800 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.84887E-03 ppm1      7.164 ppm2      4.339 CV     1
 OR { 1136}
   (( segid "SF1 " and resid 43   and name HG1 ))
   (( segid "SF1 " and resid 48   and name HN  ))
 OR { 1136}
   (( segid "SF1 " and resid 46   and name HB1 ))
   (( segid "SF1 " and resid 48   and name HN  ))
 ASSI { 1147}
   (  segid "SF1 " and resid 51   and name HE% )
   (( segid "SF1 " and resid 97   and name HN  ))
      4.300     2.300     1.700 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.38479E-03 ppm1      7.696 ppm2      6.848 CV     1
 OR { 1147}
   (  segid "SF1 " and resid 39   and name HD% )
   (( segid "SF1 " and resid 97   and name HN  ))
 ASSI { 1152}
   (( segid "SF1 " and resid 120  and name HA  ))
   (( segid "SF1 " and resid 120  and name HN  ))
      2.200     0.600     0.600 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.15253E-01 ppm1      7.883 ppm2      4.145 CV     1
 OR { 1152}
   (( segid "SF1 " and resid 119  and name HA  ))
   (( segid "SF1 " and resid 120  and name HN  ))
 OR { 1152}
   (( segid "SF1 " and resid 119  and name HA  ))
   (( segid "SF1 " and resid 122  and name HN  ))
 ASSI { 1171}
   (( segid "SF1 " and resid 76   and name HN  ))
   (( segid "SF1 " and resid 78   and name HN  ))
      3.800     1.800     1.800 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.87472E-03 ppm1      7.620 ppm2      7.971 CV     1
 OR { 1171}
   (( segid "SF1 " and resid 52   and name HN  ))
   (( segid "SF1 " and resid 54   and name HN  ))
 OR { 1171}
   (( segid "SF1 " and resid 86   and name HN  ))
   (( segid "SF1 " and resid 88   and name HN  ))
 ASSI { 1174}
   (( segid "SF1 " and resid 56   and name HB2 ))
   (( segid "SF1 " and resid 57   and name HD21))
      4.100     2.100     1.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.31929E-03 ppm1      7.759 ppm2      1.608 CV     1
 OR { 1174}
   (( segid "SF1 " and resid 59   and name HD1 ))
   (( segid "SF1 " and resid 57   and name HD21))
 OR { 1174}
   (( segid "SF1 " and resid 59   and name HD2 ))
   (( segid "SF1 " and resid 57   and name HD21))
 ASSI { 1180}
   (( segid "SF1 " and resid 56   and name HB2 ))
   (( segid "SF1 " and resid 57   and name HD22))
      4.100     2.100     1.900 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.48260E-03 ppm1      7.261 ppm2      1.623 CV     1
 OR { 1180}
   (( segid "SF1 " and resid 53   and name HG1 ))
   (( segid "SF1 " and resid 57   and name HD22))
 ASSI { 1188}
   (( segid "SF1 " and resid 121  and name HG1 ))
   (( segid "SF1 " and resid 121  and name HE22))
      4.500     2.500     1.500 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.71095E-03 ppm1      6.792 ppm2      2.468 CV     1
 OR { 1188}
   (( segid "SF1 " and resid 122  and name HG1 ))
   (( segid "SF1 " and resid 122  and name HE22))
 OR { 1188}
   (( segid "SF1 " and resid 58   and name HB2 ))
   (( segid "SF1 " and resid 58   and name HD22))
 ASSI { 1191}
   (( segid "SF1 " and resid 122  and name HG1 ))
   (( segid "SF1 " and resid 122  and name HE21))
      3.400     1.400     1.400 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.62477E-03 ppm1      7.469 ppm2      2.467 CV     1
 OR { 1191}
   (( segid "SF1 " and resid 58   and name HB2 ))
   (( segid "SF1 " and resid 58   and name HD21))
 ASSI { 1210}
   (( segid "SF1 " and resid 23   and name HB1 ))
   (( segid "SF1 " and resid 23   and name HD21))
      2.800     1.000     1.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.28654E-02 ppm1      7.502 ppm2      2.783 CV     1
 OR { 1210}
   (( segid "SF1 " and resid 17   and name HB1 ))
   (( segid "SF1 " and resid 17   and name HD21))
 ASSI { 1211}
   (( segid "SF1 " and resid 23   and name HB2 ))
   (( segid "SF1 " and resid 23   and name HD21))
      2.800     1.000     1.000 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.29344E-02 ppm1      7.499 ppm2      2.697 CV     1
 OR { 1211}
   (( segid "SF1 " and resid 17   and name HB2 ))
   (( segid "SF1 " and resid 17   and name HD21))
 ASSI { 1217}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 75   and name HE21))
      4.600     2.700     1.400 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.30249E-03 ppm1      7.538 ppm2      1.189 CV     1
 OR { 1217}
   (( segid "SF1 " and resid 70   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HE21))
 ASSI { 1229}
   (( segid "SF1 " and resid 121  and name HG2 ))
   (( segid "SF1 " and resid 121  and name HE22))
      4.200     2.200     1.800 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.88762E-03 ppm1      6.804 ppm2      2.375 CV     1
 OR { 1229}
   (( segid "SF1 " and resid 122  and name HG2 ))
   (( segid "SF1 " and resid 122  and name HE22))
 ASSI { 1246}
   (( segid "SF1 " and resid 34   and name HB  ))
   (( segid "SF1 " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.50414E-03 ppm1      8.012 ppm2      1.854 CV     1
 OR { 1246}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (( segid "SF1 " and resid 43   and name HN  ))
 ASSI { 1247}
   (( segid "SF1 " and resid 50   and name HA  ))
   (( segid "SF1 " and resid 51   and name HN  ))
      4.100     2.100     1.900 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.43951E-03 ppm1      9.096 ppm2      3.999 CV     1
 OR { 1247}
   (( segid "SF1 " and resid 49   and name HA1 ))
   (( segid "SF1 " and resid 51   and name HN  ))
 ASSI { 1250}
   (( segid "SF1 " and resid 49   and name HA2 ))
   (( segid "SF1 " and resid 53   and name HN  ))
      3.800     1.800     1.800 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.75838E-03 ppm1      8.047 ppm2      3.531 CV     1
 OR { 1250}
   (( segid "SF1 " and resid 54   and name HB  ))
   (( segid "SF1 " and resid 53   and name HN  ))
 ASSI { 1253}
   (( segid "SF1 " and resid 57   and name HN  ))
   (( segid "SF1 " and resid 55   and name HN  ))
      4.300     2.400     1.700 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.32661E-03 ppm1      7.649 ppm2      6.805 CV     1
 OR { 1253}
   (  segid "SF1 " and resid 51   and name HE% )
   (( segid "SF1 " and resid 55   and name HN  ))
 ASSI { 1258}
   (( segid "SF1 " and resid 118  and name HN  ))
   (( segid "SF1 " and resid 117  and name HN  ))
      3.000     1.100     1.100 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.18356E-02 ppm1      8.223 ppm2      7.739 CV     1
 OR { 1258}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 60   and name HN  ))
 ASSI { 1261}
   (  segid "SF1 " and resid 92   and name HE% )
   (( segid "SF1 " and resid 92   and name HN  ))
      3.200     1.300     1.300 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.15124E-02 ppm1      8.003 ppm2      1.764 CV     1
 OR { 1261}
   (( segid "SF1 " and resid 41   and name HB1 ))
   (( segid "SF1 " and resid 92   and name HN  ))
 ASSI { 1264}
   (  segid "SF1 " and resid 99   and name HB% )
   (( segid "SF1 " and resid 58   and name HD22))
      4.300     2.400     1.700 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.14263E-03 ppm1      6.774 ppm2      1.475 CV     1
 OR { 1264}
   (  segid "SF1 " and resid 118  and name HB% )
   (( segid "SF1 " and resid 121  and name HE22))
 OR { 1264}
   (  segid "SF1 " and resid 118  and name HB% )
   (( segid "SF1 " and resid 122  and name HE22))
 ASSI { 1276}
   (( segid "SF1 " and resid 38   and name HB1 ))
   (( segid "SF1 " and resid 43   and name HN  ))
      4.900     3.000     1.100 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.37186E-03 ppm1      8.019 ppm2      3.634 CV     1
 OR { 1276}
   (( segid "SF1 " and resid 34   and name HA  ))
   (( segid "SF1 " and resid 43   and name HN  ))
 ASSI { 1280}
   (( segid "SF1 " and resid 70   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HE22))
      5.000     3.200     1.000 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.22105E-03 ppm1      6.713 ppm2      1.193 CV     1
 OR { 1280}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 75   and name HE22))
 ASSI { 1285}
   (( segid "SF1 " and resid 103  and name HA  ))
   (( segid "SF1 " and resid 102  and name HN  ))
      5.000     3.100     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.19261E-03 ppm1      7.289 ppm2      4.485 CV     1
 OR { 1285}
   (( segid "SF1 " and resid 100  and name HA  ))
   (( segid "SF1 " and resid 102  and name HN  ))
 ASSI { 1288}
   (( segid "SF1 " and resid 102  and name HB2 ))
   (( segid "SF1 " and resid 104  and name HN  ))
      5.300     3.500     0.700 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.18399E-03 ppm1      8.837 ppm2      1.854 CV     1
 OR { 1288}
   (( segid "SF1 " and resid 103  and name HG1 ))
   (( segid "SF1 " and resid 104  and name HN  ))
 ASSI { 1294}
   (( segid "SF1 " and resid 111  and name HD1 ))
   (( segid "SF1 " and resid 113  and name HN  ))
      5.000     3.100     1.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.33566E-03 ppm1      7.761 ppm2      3.620 CV     1
 OR { 1294}
   (( segid "SF1 " and resid 39   and name HA  ))
   (( segid "SF1 " and resid 96   and name HN  ))
 ASSI {   10}
   (( segid "SBS " and resid 29   and name H6  ))
   (( segid "SBS " and resid 29   and name H2''))
      3.100     1.200     1.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.88498E-02 ppm1      7.263 ppm2      2.379 CV     1
 OR {   10}
   (( segid "SBS " and resid 10   and name H6  ))
   (( segid "SBS " and resid 10   and name H2''))
 ASSI {   12}
   (( segid "SBS " and resid 23   and name H6  ))
   (( segid "SBS " and resid 22   and name H2''))
      2.000     0.500     0.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.18038E-01 ppm1      7.432 ppm2      2.428 CV     1
 OR {   12}
   (( segid "SBS " and resid 23   and name H6  ))
   (( segid "SBS " and resid 23   and name H2''))
 ASSI {   24}
   (( segid "SBS " and resid 10   and name H1' ))
   (( segid "SBS " and resid 10   and name H2''))
      2.100     0.600     0.600 peak    24 spectrum    1 weight  0.10000E+01 volume  0.10206E-01 ppm1      5.960 ppm2      2.387 CV     1
 OR {   24}
   (( segid "SBS " and resid 22   and name H1' ))
   (( segid "SBS " and resid 23   and name H2''))
 ASSI {   25}
   (( segid "SBS " and resid 14   and name H1' ))
   (( segid "SBS " and resid 15   and name H2' ))
      3.300     1.400     1.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.73365E-02 ppm1      5.960 ppm2      2.228 CV     1
 OR {   25}
   (( segid "SBS " and resid 10   and name H1' ))
   (( segid "SBS " and resid 11   and name H2''))
 ASSI {   51}
   (( segid "SBS " and resid 17   and name H6  ))
   (( segid "SBS " and resid 17   and name H4' ))
      4.000     2.000     2.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.26634E-02 ppm1      7.509 ppm2      4.213 CV     1
 OR {   51}
   (( segid "SBS " and resid 9    and name H8  ))
   (( segid "SBS " and resid 9    and name H4' ))
 OR {   51}
   (( segid "SBS " and resid 17   and name H6  ))
   (( segid "SBS " and resid 18   and name H5''))
 ASSI {   72}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 19   and name H3' ))
      5.400     3.700     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.37529E-03 ppm1      6.547 ppm2      5.036 CV     1
 OR {   72}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 18   and name H3' ))
 ASSI {   77}
   (( segid "SBS " and resid 22   and name H6  ))
   (( segid "SBS " and resid 21   and name H1' ))
      2.200     0.600     0.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.12082E-01 ppm1      7.354 ppm2      5.951 CV     1
 OR {   77}
   (( segid "SBS " and resid 22   and name H6  ))
   (( segid "SBS " and resid 22   and name H1' ))
 ASSI {   91}
   (( segid "SBS " and resid 20   and name H8  ))
   (( segid "SBS " and resid 20   and name H2' ))
      2.400     0.700     0.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.41767E-02 ppm1      8.315 ppm2      2.319 CV     1
 OR {   91}
   (( segid "SBS " and resid 20   and name H8  ))
   (( segid "SBS " and resid 19   and name H2''))
 OR {   91}
   (( segid "SBS " and resid 20   and name H8  ))
   (( segid "SBS " and resid 20   and name H2''))
 ASSI {  113}
   (( segid "SBS " and resid 19   and name H3  ))
   (( segid "SBS " and resid 11   and name H42 ))
      4.900     3.100     1.100 peak   113 spectrum    1 weight  0.10000E+01 volume  0.21549E-03 ppm1     14.223 ppm2      8.301 CV     1
 OR {  113}
   (( segid "SBS " and resid 19   and name H3  ))
   (( segid "SBS " and resid 20   and name H8  ))
 ASSI {  115}
   (( segid "SBS " and resid 19   and name H3  ))
   (( segid "SBS " and resid 19   and name H6  ))
      4.800     2.800     1.200 peak   115 spectrum    1 weight  0.10000E+01 volume  0.37651E-03 ppm1     14.219 ppm2      6.575 CV     1
 OR {  115}
   (( segid "SBS " and resid 19   and name H3  ))
   (( segid "SBS " and resid 11   and name H41 ))
 ASSI {  159}
   (( segid "SBS " and resid 26   and name H1  ))
   (( segid "SBS " and resid 27   and name H2  ))
      4.500     2.600     1.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.43099E-03 ppm1     12.795 ppm2      7.662 CV     1
 OR {  159}
   (( segid "SBS " and resid 28   and name H1  ))
   (( segid "SBS " and resid 27   and name H2  ))
 ASSI {  177}
   (( segid "SBS " and resid 20   and name H1  ))
   (( segid "SBS " and resid 10   and name H41 ))
      5.100     3.200     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.43340E-03 ppm1     12.969 ppm2      5.945 CV     1
 OR {  177}
   (( segid "SBS " and resid 20   and name H1  ))
   (( segid "SBS " and resid 21   and name H1' ))
 ASSI {  178}
   (( segid "SBS " and resid 9    and name H1  ))
   (( segid "SBS " and resid 22   and name H1' ))
      4.200     2.200     1.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.80748E-03 ppm1     12.879 ppm2      5.953 CV     1
 OR {  178}
   (( segid "SBS " and resid 9    and name H1  ))
   (( segid "SBS " and resid 10   and name H41 ))
 OR {  178}
   (( segid "SBS " and resid 9    and name H1  ))
   (( segid "SBS " and resid 10   and name H1' ))
 ASSI {  203}
   (( segid "SBS " and resid 22   and name H41 ))
   (( segid "SBS " and resid 22   and name H5  ))
      2.900     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.19612E-02 ppm1      7.701 ppm2      5.154 CV     1
 OR {  203}
   (( segid "SBS " and resid 21   and name H8  ))
   (( segid "SBS " and resid 20   and name H1' ))
 ASSI {  211}
   (( segid "SBS " and resid 17   and name H6  ))
   (( segid "SBS " and resid 17   and name H3' ))
      3.300     1.300     1.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.89346E-02 ppm1      7.509 ppm2      4.887 CV     1
 OR {  211}
   (( segid "SBS " and resid 9    and name H8  ))
   (( segid "SBS " and resid 9    and name H3' ))
 ASSI {  214}
   (( segid "SBS " and resid 29   and name H6  ))
   (( segid "SBS " and resid 28   and name H3' ))
      4.300     2.300     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.20944E-02 ppm1      7.266 ppm2      4.895 CV     1
 OR {  214}
   (( segid "SBS " and resid 10   and name H6  ))
   (( segid "SBS " and resid 9    and name H3' ))
 ASSI {  218}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 12   and name H5''))
      4.100     2.100     1.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.28450E-02 ppm1      8.287 ppm2      4.055 CV     1
 OR {  218}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 13   and name H5' ))
 ASSI {  267}
   (( segid "SBS " and resid 24   and name H6  ))
   (( segid "SBS " and resid 23   and name H2''))
      1.900     0.500     0.500 peak   267 spectrum    1 weight  0.10000E+01 volume  0.21670E-01 ppm1      7.610 ppm2      2.390 CV     1
 OR {  267}
   (( segid "SBS " and resid 15   and name H8  ))
   (( segid "SBS " and resid 15   and name H2''))
 ASSI {  268}
   (( segid "SBS " and resid 15   and name H8  ))
   (( segid "SBS " and resid 15   and name H2' ))
      2.000     0.500     0.500 peak   268 spectrum    1 weight  0.10000E+01 volume  0.17675E-01 ppm1      7.608 ppm2      2.221 CV     1
 OR {  268}
   (( segid "SBS " and resid 5    and name H6  ))
   (( segid "SBS " and resid 5    and name H2''))
 ASSI {  289}
   (( segid "SBS " and resid 23   and name H6  ))
   (( segid "SBS " and resid 23   and name H3' ))
      3.300     1.300     1.300 peak   289 spectrum    1 weight  0.10000E+01 volume  0.79540E-02 ppm1      7.431 ppm2      4.729 CV     1
 OR {  289}
   (( segid "SBS " and resid 23   and name H6  ))
   (( segid "SBS " and resid 22   and name H3' ))
 ASSI {  290}
   (( segid "SBS " and resid 11   and name H6  ))
   (( segid "SBS " and resid 11   and name H3' ))
      3.300     1.300     1.300 peak   290 spectrum    1 weight  0.10000E+01 volume  0.78326E-02 ppm1      7.488 ppm2      4.766 CV     1
 OR {  290}
   (( segid "SBS " and resid 11   and name H6  ))
   (( segid "SBS " and resid 10   and name H3' ))
 ASSI {  292}
   (( segid "SBS " and resid 20   and name H8  ))
   (( segid "SBS " and resid 20   and name H3' ))
      4.400     2.500     1.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.17191E-02 ppm1      8.309 ppm2      4.771 CV     1
 OR {  292}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 11   and name H3' ))
 ASSI {  298}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 12   and name H4' ))
      3.300     3.300     2.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.62106E-03 ppm1      7.103 ppm2      4.385 CV     1
 OR {  298}
   (( segid "SBS " and resid 5    and name H41 ))
   (( segid "SBS " and resid 6    and name H4' ))
 ASSI {  308}
   (( segid "SBS " and resid 18   and name H1' ))
   (( segid "SBS " and resid 18   and name H3' ))
      4.400     2.500     1.600 peak   308 spectrum    1 weight  0.10000E+01 volume  0.10181E-02 ppm1      6.057 ppm2      5.042 CV     1
 OR {  308}
   (( segid "SBS " and resid 18   and name H1' ))
   (( segid "SBS " and resid 19   and name H3' ))
 ASSI {  312}
   (( segid "SBS " and resid 22   and name H1' ))
   (( segid "SBS " and resid 22   and name H3' ))
      3.900     1.900     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.28329E-02 ppm1      5.961 ppm2      4.755 CV     1
 OR {  312}
   (( segid "SBS " and resid 10   and name H1' ))
   (( segid "SBS " and resid 10   and name H3' ))
 OR {  312}
   (( segid "SBS " and resid 10   and name H1' ))
   (( segid "SBS " and resid 11   and name H3' ))
 OR {  312}
   (( segid "SBS " and resid 21   and name H1' ))
   (( segid "SBS " and resid 22   and name H3' ))
 OR {  312}
   (( segid "SBS " and resid 22   and name H1' ))
   (( segid "SBS " and resid 23   and name H3' ))
 ASSI {  323}
   (( segid "SBS " and resid 24   and name H1' ))
   (( segid "SBS " and resid 24   and name H2''))
      2.400     0.700     0.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.43220E-02 ppm1      6.057 ppm2      2.419 CV     1
 OR {  323}
   (( segid "SBS " and resid 15   and name H1' ))
   (( segid "SBS " and resid 15   and name H2''))
 ASSI {  330}
   (( segid "SBS " and resid 17   and name H1' ))
   (( segid "SBS " and resid 17   and name H2''))
      2.400     0.700     0.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.46004E-02 ppm1      5.786 ppm2      2.578 CV     1
 OR {  330}
   (( segid "SBS " and resid 17   and name H1' ))
   (( segid "SBS " and resid 18   and name H2' ))
 ASSI {  349}
   (( segid "SBS " and resid 18   and name H1' ))
   (( segid "SBS " and resid 18   and name H4' ))
      3.000     1.100     1.100 peak   349 spectrum    1 weight  0.10000E+01 volume  0.26755E-02 ppm1      6.058 ppm2      4.434 CV     1
 OR {  349}
   (( segid "SBS " and resid 6    and name H1' ))
   (( segid "SBS " and resid 6    and name H4' ))
 ASSI {  407}
   (( segid "SBS " and resid 29   and name H6  ))
   (( segid "SBS " and resid 28   and name H1' ))
      2.800     1.000     1.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.27844E-02 ppm1      7.254 ppm2      5.665 CV     1
 OR {  407}
   (( segid "SBS " and resid 29   and name H6  ))
   (( segid "SBS " and resid 30   and name H5  ))
 ASSI {  412}
   (( segid "SBS " and resid 30   and name H6  ))
   (( segid "SBS " and resid 30   and name H5' ))
      3.100     1.200     1.200 peak   412 spectrum    1 weight  0.10000E+01 volume  0.39588E-02 ppm1      7.561 ppm2      4.045 CV     1
 OR {  412}
   (( segid "SBS " and resid 30   and name H6  ))
   (( segid "SBS " and resid 30   and name H5''))
 OR {  412}
   (( segid "SBS " and resid 5    and name H6  ))
   (( segid "SBS " and resid 6    and name H5''))
 ASSI {  414}
   (( segid "SBS " and resid 6    and name H8  ))
   (( segid "SBS " and resid 5    and name H6  ))
      5.500     3.700     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.71912E-03 ppm1      8.698 ppm2      7.583 CV     1
 OR {  414}
   (( segid "SBS " and resid 5    and name H42 ))
   (( segid "SBS " and resid 5    and name H6  ))
 ASSI {  415}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 11   and name H6  ))
      5.100     3.200     0.900 peak   415 spectrum    1 weight  0.10000E+01 volume  0.11150E-02 ppm1      8.294 ppm2      7.489 CV     1
 OR {  415}
   (( segid "SBS " and resid 11   and name H42 ))
   (( segid "SBS " and resid 11   and name H6  ))
 ASSI {  424}
   (( segid "SBS " and resid 22   and name H41 ))
   (( segid "SBS " and resid 22   and name H6  ))
      5.000     3.100     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.75909E-03 ppm1      7.703 ppm2      7.352 CV     1
 OR {  424}
   (( segid "SBS " and resid 21   and name H8  ))
   (( segid "SBS " and resid 22   and name H6  ))
 ASSI {   42}
   (( segid "SBS " and resid 29   and name H5  ))
   (( segid "SBS " and resid 28   and name H1' ))
      3.700     1.700     1.700 peak    42 spectrum    1 weight  0.10000E+01 volume  0.14416E-02 ppm1      5.306 ppm2      5.666 CV     1
 OR {   42}
   (( segid "SBS " and resid 29   and name H5  ))
   (( segid "SBS " and resid 30   and name H5  ))
 ASSI {   51}
   (( segid "SBS " and resid 30   and name H5  ))
   (( segid "SBS " and resid 29   and name H1' ))
      3.500     1.500     1.500 peak    51 spectrum    1 weight  0.10000E+01 volume  0.19125E-02 ppm1      5.670 ppm2      5.870 CV     1
 OR {   51}
   (( segid "SBS " and resid 28   and name H1' ))
   (( segid "SBS " and resid 29   and name H1' ))
 ASSI {   52}
   (( segid "SBS " and resid 22   and name H5  ))
   (( segid "SBS " and resid 21   and name H1' ))
      3.500     1.500     1.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.19317E-02 ppm1      5.155 ppm2      5.942 CV     1
 OR {   52}
   (( segid "SBS " and resid 22   and name H5  ))
   (( segid "SBS " and resid 22   and name H1' ))
 ASSI {   54}
   (( segid "SBS " and resid 30   and name H5  ))
   (( segid "SBS " and resid 29   and name H2''))
      3.200     1.300     1.300 peak    54 spectrum    1 weight  0.10000E+01 volume  0.15089E-02 ppm1      5.673 ppm2      2.367 CV     1
 OR {   54}
   (( segid "SBS " and resid 28   and name H1' ))
   (( segid "SBS " and resid 29   and name H2''))
 ASSI {   55}
   (( segid "SBS " and resid 30   and name H5  ))
   (( segid "SBS " and resid 29   and name H2' ))
      3.700     1.700     1.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.12301E-02 ppm1      5.673 ppm2      1.987 CV     1
 OR {   55}
   (( segid "SBS " and resid 28   and name H1' ))
   (( segid "SBS " and resid 29   and name H2' ))
 ASSI {   61}
   (( segid "SBS " and resid 24   and name H5  ))
   (( segid "SBS " and resid 23   and name H2' ))
      3.100     1.200     1.200 peak    61 spectrum    1 weight  0.10000E+01 volume  0.40077E-02 ppm1      5.549 ppm2      2.108 CV     1
 OR {   61}
   (( segid "SBS " and resid 24   and name H5  ))
   (( segid "SBS " and resid 24   and name H2' ))
 ASSI {   64}
   (( segid "SBS " and resid 24   and name H5  ))
   (( segid "SBS " and resid 23   and name H2''))
      2.800     1.000     1.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.40173E-02 ppm1      5.548 ppm2      2.409 CV     1
 OR {   64}
   (( segid "SBS " and resid 24   and name H5  ))
   (( segid "SBS " and resid 24   and name H2''))
 ASSI {   67}
   (( segid "SBS " and resid 23   and name H5  ))
   (( segid "SBS " and resid 22   and name H2''))
      3.000     1.100     1.100 peak    67 spectrum    1 weight  0.10000E+01 volume  0.24603E-02 ppm1      5.358 ppm2      2.433 CV     1
 OR {   67}
   (( segid "SBS " and resid 23   and name H5  ))
   (( segid "SBS " and resid 23   and name H2''))
 ASSI {   89}
   (( segid "SBS " and resid 8    and name H8  ))
   (( segid "SBS " and resid 9    and name H8  ))
      5.300     3.500     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.60065E-03 ppm1      7.956 ppm2      7.516 CV     1
 OR {   89}
   (( segid "SBS " and resid 8    and name H8  ))
   (( segid "SBS " and resid 7    and name H8  ))
 ASSI {   16}
   (  segid "SF1 " and resid 88   and name HD1%)
   (  segid "SF1 " and resid 51   and name HE% )
      3.000     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.17862E-02 ppm1      6.833 ppm2      0.771 CV     1
 OR {   16}
   (  segid "SF1 " and resid 55   and name HG1%)
   (  segid "SF1 " and resid 51   and name HE% )
 ASSI {   18}
   (  segid "SF1 " and resid 96   and name HB% )
   (  segid "SF1 " and resid 109  and name HD% )
      2.900     1.000     1.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.32625E-02 ppm1      7.139 ppm2      1.829 CV     1
 OR {   18}
   (( segid "SF1 " and resid 93   and name HG1 ))
   (  segid "SF1 " and resid 109  and name HD% )
 ASSI {   25}
   (  segid "SF1 " and resid 88   and name HD1%)
   (( segid "SF1 " and resid 51   and name HZ  ))
      3.400     1.400     1.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.16786E-02 ppm1      6.701 ppm2      0.788 CV     1
 OR {   25}
   (  segid "SF1 " and resid 55   and name HG1%)
   (( segid "SF1 " and resid 51   and name HZ  ))
 ASSI {   35}
   (  segid "SF1 " and resid 96   and name HB% )
   (  segid "SF1 " and resid 39   and name HE% )
      3.200     1.300     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.12886E-02 ppm1      7.085 ppm2      1.778 CV     1
 OR {   35}
   (( segid "SF1 " and resid 48   and name HG1 ))
   (  segid "SF1 " and resid 39   and name HE% )
 OR {   35}
   (  segid "SF1 " and resid 92   and name HE% )
   (  segid "SF1 " and resid 39   and name HE% )
 ASSI {   44}
   (( segid "SF1 " and resid 117  and name HG2 ))
   (  segid "SF1 " and resid 37   and name HE% )
      3.100     1.200     1.200 peak    44 spectrum    1 weight  0.10000E+01 volume  0.22601E-02 ppm1      6.712 ppm2      1.629 CV     1
 OR {   44}
   (( segid "SF1 " and resid 120  and name HD1 ))
   (  segid "SF1 " and resid 37   and name HE% )
 OR {   44}
   (( segid "SF1 " and resid 120  and name HD2 ))
   (  segid "SF1 " and resid 37   and name HE% )
 ASSI {   50}
   (( segid "SF1 " and resid 85   and name HA  ))
   (  segid "SF1 " and resid 84   and name HD% )
      3.100     1.200     1.200 peak    50 spectrum    1 weight  0.10000E+01 volume  0.20414E-02 ppm1      7.325 ppm2      3.731 CV     1
 OR {   50}
   (( segid "SF1 " and resid 51   and name HA  ))
   (  segid "SF1 " and resid 84   and name HD% )
 OR {   50}
   (( segid "SF1 " and resid 87   and name HB1 ))
   (  segid "SF1 " and resid 84   and name HD% )
 ASSI {   59}
   (( segid "SF1 " and resid 39   and name HA  ))
   (  segid "SF1 " and resid 113  and name HD% )
      3.500     1.500     1.500 peak    59 spectrum    1 weight  0.10000E+01 volume  0.25335E-02 ppm1      6.513 ppm2      3.612 CV     1
 OR {   59}
   (( segid "SF1 " and resid 111  and name HD1 ))
   (  segid "SF1 " and resid 113  and name HD% )
 ASSI {   70}
   (  segid "SF1 " and resid 88   and name HD2%)
   (  segid "SF1 " and resid 51   and name HE% )
      3.500     1.500     1.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.92956E-03 ppm1      6.833 ppm2      0.619 CV     1
 OR {   70}
   (  segid "SF1 " and resid 97   and name HG2%)
   (  segid "SF1 " and resid 51   and name HE% )
 OR {   70}
   (( segid "SF1 " and resid 92   and name HB2 ))
   (  segid "SF1 " and resid 51   and name HE% )
 ASSI {   77}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (  segid "SF1 " and resid 37   and name HE% )
      3.000     1.200     1.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.18773E-02 ppm1      6.705 ppm2      1.876 CV     1
 OR {   77}
   (( segid "SF1 " and resid 117  and name HG1 ))
   (  segid "SF1 " and resid 37   and name HE% )
 OR {   77}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (  segid "SF1 " and resid 37   and name HE% )
 ASSI {   81}
   (( segid "SF1 " and resid 110  and name HA2 ))
   (  segid "SF1 " and resid 113  and name HE% )
      4.200     2.200     1.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.85298E-03 ppm1      6.471 ppm2      3.914 CV     1
 OR {   81}
   (( segid "SF1 " and resid 113  and name HA  ))
   (  segid "SF1 " and resid 113  and name HE% )
assi {    1 ncsdssfnoeh.xpk }
    ((resid   46 and name HA   and segid SF1  ) 
  or (resid   46 and name HB#  and segid SF1  ))  
    ((resid   20 and name H2'  and segid SBS  ) 
  or (resid   20 and name H2'' and segid SBS  ))  
     2.25 2.25 2.25
assi {    2 ncsdssfnoeh.xpk }
    ((resid   46 and name HA   and segid SF1  ) 
  or (resid   46 and name HB#  and segid SF1  ))  
    ((resid   20 and name H1'  and segid SBS  ) 
  or (resid   20 and name H3'  and segid SBS  ))  
     2.25 2.25 2.25
assi {    3 ncsdssfnoeh.xpk }
     (resid   52 and name HE#  and segid SF1  ) 
     (resid    9 and name H8   and segid SBS  ) 
     2.25 2.25 2.25
assi {    5 ncsdssfnoeh.xpk }
     (resid   52 and name HE#  and segid SF1  ) 
    ((resid    8 and name H8   and segid SBS  ) 
  or (resid   10 and name H4#  and segid SBS  ))  
     2.25 2.25 2.25
assi {    7 ncsdssfnoeh.xpk }
     (resid  102 and name HE#  and segid SF1  ) 
    ((resid   27 and name H5'  and segid SBS  ) 
  or (resid   27 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {    8 ncsdssfnoeh.xpk }
     (resid   77 and name HE#  and segid SF1  ) 
    ((resid   19 and name H5'  and segid SBS  ) 
  or (resid   19 and name H5'' and segid SBS  ))  
     1.80 1.80 1.80
assi {   10 ncsdssfnoeh.xpk }
     (resid   77 and name HE#  and segid SF1  ) 
     (resid   19 and name H1'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   14 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
     (resid    9 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   15 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   16 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   17 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
     (resid    9 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   19 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   20 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.70 2.70 2.70
assi {   22 ncsdssfnoeh.xpk }
     (resid   53 and name HD#  and segid SF1  ) 
     (resid   19 and name H7#  and segid SBS  ) 
     1.80 1.80 1.80
assi {   33 ncsdssfnoeh.xpk }
     (resid   77 and name HG#  and segid SF1  ) 
    ((resid   19 and name H5'  and segid SBS  ) 
  or (resid   19 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   34 ncsdssfnoeh.xpk }
     (resid   77 and name HG#  and segid SF1  ) 
    ((resid   19 and name H5'  and segid SBS  ) 
  or (resid   19 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   35 ncsdssfnoeh.xpk }
     (resid  103 and name HG#  and segid SF1  ) 
     (resid    9 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   36 ncsdssfnoeh.xpk }
     (resid  103 and name HG#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   37 ncsdssfnoeh.xpk }
     (resid  103 and name HG#  and segid SF1  ) 
     (resid    9 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   38 ncsdssfnoeh.xpk }
     (resid  103 and name HG#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.70 2.70 2.70
assi {   40 ncsdssfnoeh.xpk }
     (resid   53 and name HG#  and segid SF1  ) 
     (resid   19 and name H7#  and segid SBS  ) 
     2.25 2.25 2.25
assi {   41 ncsdssfnoeh.xpk }
     (resid   52 and name HD#  and segid SF1  ) 
     (resid    8 and name H8   and segid SBS  ) 
     2.25 2.25 2.25
assi {   42 ncsdssfnoeh.xpk }
     (resid   52 and name HD#  and segid SF1  ) 
     (resid    8 and name H8   and segid SBS  ) 
     2.70 2.70 2.70
assi {   43 ncsdssfnoeh.xpk }
     (resid   52 and name HD#  and segid SF1  ) 
     (resid    9 and name H8   and segid SBS  ) 
     2.25 2.25 2.25
assi {   44 ncsdssfnoeh.xpk }
     (resid   77 and name HD#  and segid SF1  ) 
    ((resid   19 and name H5'  and segid SBS  ) 
  or (resid   19 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   45 ncsdssfnoeh.xpk }
     (resid   77 and name HD#  and segid SF1  ) 
    ((resid   19 and name H5'  and segid SBS  ) 
  or (resid   19 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   48 ncsdssfnoeh.xpk }
     (resid   53 and name HB#  and segid SF1  ) 
     (resid   19 and name H7#  and segid SBS  ) 
     2.25 2.25 2.25
assi {   51 ncsdssfnoeh.xpk }
     (resid   45 and name HG#  and segid SF1  ) 
     (resid   22 and name H6   and segid SBS  ) 
     2.25 2.25 2.25
assi {   52 ncsdssfnoeh.xpk }
     (resid   45 and name HG#  and segid SF1  ) 
     (resid   22 and name H5   and segid SBS  ) 
     2.25 2.25 2.25
assi {   53 ncsdssfnoeh.xpk }
     (resid   45 and name HG#  and segid SF1  ) 
     (resid   22 and name H5   and segid SBS  ) 
     2.25 2.25 2.25
assi {   57 ncsdssfnoeh.xpk }
    ((resid   46 and name HA   and segid SF1  ) 
  or (resid   46 and name HB#  and segid SF1  ))  
     (resid   20 and name H8   and segid SBS  ) 
     2.70 2.70 2.70
assi {   58 ncsdssfnoeh.xpk }
     (resid   77 and name HE#  and segid SF1  ) 
     (resid   19 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   59 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
     (resid    8 and name H1'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   60 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
     (resid    8 and name H1'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   62 ncsdssfnoeh.xpk }
     (resid  106 and name HD#  and segid SF1  ) 
     (resid    6 and name H4'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   63 ncsdssfnoeh.xpk }
     (resid  106 and name HD#  and segid SF1  ) 
     (resid    6 and name H4'  and segid SBS  ) 
     3.00 3.00 3.00
assi {   65 ncsdssfnoeh.xpk }
     (resid   48 and name HE#  and segid SF1  ) 
     (resid   22 and name H4#  and segid SBS  ) 
     2.70 2.70 2.70
assi {   66 ncsdssfnoeh.xpk }
     (resid   48 and name HE#  and segid SF1  ) 
     (resid    8 and name H8   and segid SBS  ) 
     2.25 2.25 2.25
assi {   70 ncsdssfnoeh.xpk }
     (resid  106 and name HN   and segid SF1  ) 
     (resid   27 and name H1'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   71 ncsdssfnoeh.xpk }
     (resid  106 and name HN   and segid SF1  ) 
     (resid   27 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   72 ncsdssfnoeh.xpk }
     (resid  106 and name HN   and segid SF1  ) 
    ((resid    6 and name H5'  and segid SBS  ) 
  or (resid    6 and name H5'' and segid SBS  )   
  or (resid   27 and name H5'  and segid SBS  )   
  or (resid   27 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   73 ncsdssfnoeh.xpk }
     (resid  103 and name HN   and segid SF1  ) 
     (resid   25 and name H1'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   82 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
    ((resid    8 and name H3'  and segid SBS  ) 
  or (resid    9 and name H3'  and segid SBS  ))  
     2.70 2.70 2.70
assi {   85 ncsdssfnoeh.xpk }
     (resid   45 and name HG#  and segid SF1  ) 
     (resid   22 and name H6   and segid SBS  ) 
     2.70 2.70 2.70
assi {   88 ncsdssfnoeh.xpk }
     (resid   53 and name HE   and segid SF1  ) 
     (resid   19 and name H7#  and segid SBS  ) 
     2.25 2.25 2.25
assi {   90 ncsdssfnoeh.xpk }
     (resid  102 and name HE#  and segid SF1  ) 
     (resid   27 and name H4'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   91 ncsdssfnoeh.xpk }
     (resid   48 and name HE#  and segid SF1  ) 
     (resid   23 and name H4#  and segid SBS  ) 
     2.70 2.70 2.70
assi {   95 ncsdssfnoeh.xpk }
     (resid   52 and name HD#  and segid SF1  ) 
     (resid    8 and name H2'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   96 ncsdssfnoeh.xpk }
     (resid   52 and name HD#  and segid SF1  ) 
     (resid    8 and name H2'' and segid SBS  ) 
     3.00 3.00 3.00
assi {   97 ncsdssfnoeh.xpk }
     (resid  106 and name HD#  and segid SF1  ) 
    ((resid    6 and name H5'  and segid SBS  ) 
  or (resid    6 and name H5'' and segid SBS  ))  
     2.70 2.70 2.70
assi {  105 ncsdssfnoeh.xpk }
     (resid   98 and name HD#  and segid SF1  ) 
    ((resid    7 and name H4'  and segid SBS  ) 
  or (resid    8 and name H4'  and segid SBS  ))  
     2.70 2.70 2.70
assi {  106 ncsdssfnoeh.xpk }
     (resid   98 and name HD#  and segid SF1  ) 
    ((resid    7 and name H4'  and segid SBS  ) 
  or (resid    8 and name H4'  and segid SBS  ))  
     2.70 2.70 2.70
assi {  107 ncsdssfnoeh.xpk }
     (resid  113 and name HE#  and segid SF1  ) 
    ((resid    6 and name H5'  and segid SBS  ) 
  or (resid    6 and name H5'' and segid SBS  ))  
     2.70 2.70 2.70
assi {  108 ncsdssfnoeh.xpk }
     (resid  113 and name HE#  and segid SF1  ) 
     (resid    6 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {  109 ncsdssfnoeh.xpk }
     (resid  113 and name HD#  and segid SF1  ) 
     (resid    6 and name H4'  and segid SBS  ) 
     2.70 2.70 2.70
assi {  110 ncsdssfnoeh.xpk }
     (resid  113 and name HD#  and segid SF1  ) 
    ((resid    6 and name H5'  and segid SBS  ) 
  or (resid    6 and name H5'' and segid SBS  ))  
     2.70 2.70 2.70
assi {    1 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   39 and name HE#  and segid SF1  ) 
     2.25 2.25 2.25
assi {    2 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid    8 and name H3'  and segid SBS  ) 
     2.70 2.70 2.70
assi {    3 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   52 and name HA   and segid SF1  ) 
     2.70 2.70 2.70
assi {    4 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   52 and name HE#  and segid SF1  ) 
     2.70 2.70 2.70
assi {    5 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid    8 and name H2'  and segid SBS  ) 
     2.70 2.70 2.70
assi {    6 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   52 and name HB#  and segid SF1  ) 
     2.70 2.70 2.70
assi {    7 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   52 and name HD#  and segid SF1  ) 
     2.25 2.25 2.25
assi {    8 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
    ((resid   52 and name HG#  and segid SF1  ) 
  or (resid   52 and name HD#  and segid SF1  ))  
     2.25 2.25 2.25
assi {    9 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   52 and name HG#  and segid SF1  ) 
     2.70 2.70 2.70
assi {   10 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   97 and name HG1# and segid SF1  ) 
     2.70 2.70 2.70
assi {   11 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   97 and name HG2# and segid SF1  ) 
     2.70 2.70 2.70
assi {   12 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   39 and name HD#  and segid SF1  ) 
     2.70 2.70 2.70
assi {   13 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid    8 and name H8   and segid SBS  ) 
     2.70 2.70 2.70
 ASSI {    1}
   (( segid "SF1 " and resid 92   and name HB2 ))
   (  segid "SF1 " and resid 92   and name HE% )
      3.200     1.300     1.300 peak     1 spectrum    1 weight  0.10000E+01 volume  0.47172E-02 ppm1      1.737 ppm2      0.646 CV     1
 ASSI {    2}
   (( segid "SF1 " and resid 92   and name HB1 ))
   (  segid "SF1 " and resid 92   and name HE% )
      2.600     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.22702E-02 ppm1      1.737 ppm2      0.876 CV     1
 ASSI {    3}
   (  segid "SF1 " and resid 29   and name HG1%)
   (  segid "SF1 " and resid 92   and name HE% )
      3.300     1.400     1.400 peak     3 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1      1.739 ppm2      0.993 CV     1
 ASSI {    4}
   (  segid "SF1 " and resid 43   and name HG2%)
   (  segid "SF1 " and resid 92   and name HE% )
      2.400     0.700     0.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.61604E-02 ppm1      1.737 ppm2      1.333 CV     1
 ASSI {    5}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (  segid "SF1 " and resid 92   and name HE% )
      3.400     1.500     1.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      1.736 ppm2      2.325 CV     1
 ASSI {    6}
   (( segid "SF1 " and resid 39   and name HB2 ))
   (  segid "SF1 " and resid 92   and name HE% )
      2.600     0.800     0.800 peak     6 spectrum    1 weight  0.10000E+01 volume  0.35080E-02 ppm1      1.736 ppm2      2.822 CV     1
 ASSI {    7}
   (( segid "SF1 " and resid 51   and name HB1 ))
   (  segid "SF1 " and resid 92   and name HE% )
      3.100     1.200     1.200 peak     7 spectrum    1 weight  0.10000E+01 volume  0.17853E-02 ppm1      1.737 ppm2      3.335 CV     1
 ASSI {    9}
   (( segid "SF1 " and resid 87   and name HB1 ))
   (  segid "SF1 " and resid 92   and name HE% )
      3.500     1.500     1.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.63884E-03 ppm1      1.736 ppm2      3.700 CV     1
 ASSI {   15}
   (( segid "SF1 " and resid 51   and name HN  ))
   (  segid "SF1 " and resid 92   and name HE% )
      4.400     2.400     1.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.46088E-03 ppm1      1.738 ppm2      9.088 CV     1
 ASSI {   16}
   (( segid "SF1 " and resid 112  and name HB2 ))
   (  segid "SF1 " and resid 112  and name HE% )
      2.500     0.800     0.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.35308E-02 ppm1      1.861 ppm2      2.334 CV     1
 ASSI {   17}
   (( segid "SF1 " and resid 112  and name HB1 ))
   (  segid "SF1 " and resid 112  and name HE% )
      3.300     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.37190E-02 ppm1      1.861 ppm2      2.498 CV     1
 ASSI {   18}
   (( segid "SF1 " and resid 109  and name HB1 ))
   (  segid "SF1 " and resid 112  and name HE% )
      3.100     1.200     1.200 peak    18 spectrum    1 weight  0.10000E+01 volume  0.16028E-02 ppm1      1.863 ppm2      2.897 CV     1
 ASSI {   19}
   (  segid "SF1 " and resid 113  and name HE% )
   (  segid "SF1 " and resid 112  and name HE% )
      2.500     2.500     3.500 peak    19 spectrum    1 weight  0.10000E+01 volume  0.21846E-02 ppm1      1.862 ppm2      6.464 CV     1
 ASSI {   20}
   (  segid "SF1 " and resid 109  and name HD% )
   (  segid "SF1 " and resid 112  and name HE% )
      3.000     1.100     1.100 peak    20 spectrum    1 weight  0.10000E+01 volume  0.18253E-02 ppm1      1.862 ppm2      7.114 CV     1
 ASSI {   21}
   (( segid "SF1 " and resid 112  and name HN  ))
   (  segid "SF1 " and resid 112  and name HE% )
      4.600     2.600     1.400 peak    21 spectrum    1 weight  0.10000E+01 volume  0.70729E-03 ppm1      1.862 ppm2      7.381 CV     1
 ASSI {   23}
   (  segid "SF1 " and resid 37   and name HE% )
   (  segid "SF1 " and resid 112  and name HE% )
      4.200     2.200     1.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.30744E-03 ppm1      1.859 ppm2      6.697 CV     1
 OR {   23}
   (  segid "SF1 " and resid 37   and name HD% )
   (  segid "SF1 " and resid 112  and name HE% )
 ASSI {   29}
   (( segid "SF1 " and resid 102  and name HG2 ))
   (  segid "SF1 " and resid 102  and name HE% )
      3.100     1.200     1.200 peak    29 spectrum    1 weight  0.10000E+01 volume  0.19565E-02 ppm1      2.064 ppm2      2.426 CV     1
 ASSI {   30}
   (( segid "SF1 " and resid 102  and name HG1 ))
   (  segid "SF1 " and resid 102  and name HE% )
      3.200     1.300     1.300 peak    30 spectrum    1 weight  0.10000E+01 volume  0.13918E-02 ppm1      2.066 ppm2      2.564 CV     1
 ASSI {   33}
   (  segid "SF1 " and resid 29   and name HG2%)
   (  segid "SF1 " and resid 71   and name HG2%)
      2.300     0.700     0.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.83846E-02 ppm1      0.528 ppm2      0.843 CV     1
 ASSI {   35}
   (  segid "SF1 " and resid 90   and name HG2%)
   (  segid "SF1 " and resid 71   and name HG2%)
      2.200     2.200     3.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.44206E-02 ppm1      0.528 ppm2      0.947 CV     1
 OR {   35}
   (  segid "SF1 " and resid 90   and name HG1%)
   (  segid "SF1 " and resid 71   and name HG2%)
 ASSI {   36}
   (( segid "SF1 " and resid 71   and name HG11))
   (  segid "SF1 " and resid 71   and name HG2%)
      2.500     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.34680E-02 ppm1      0.529 ppm2      1.604 CV     1
 ASSI {   38}
   (( segid "SF1 " and resid 71   and name HB  ))
   (  segid "SF1 " and resid 71   and name HG2%)
      2.300     0.700     0.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.65595E-02 ppm1      0.528 ppm2      1.991 CV     1
 ASSI {   43}
   (( segid "SF1 " and resid 71   and name HA  ))
   (  segid "SF1 " and resid 71   and name HG2%)
      2.500     0.800     0.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.38216E-02 ppm1      0.529 ppm2      3.869 CV     1
 ASSI {   44}
   (( segid "SF1 " and resid 72   and name HN  ))
   (  segid "SF1 " and resid 71   and name HG2%)
      3.100     1.200     1.200 peak    44 spectrum    1 weight  0.10000E+01 volume  0.17910E-02 ppm1      0.530 ppm2      6.669 CV     1
 ASSI {   47}
   (( segid "SF1 " and resid 71   and name HN  ))
   (  segid "SF1 " and resid 71   and name HG2%)
      4.000     2.000     2.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.11408E-02 ppm1      0.528 ppm2      8.403 CV     1
 ASSI {   48}
   (( segid "SF1 " and resid 83   and name HN  ))
   (  segid "SF1 " and resid 71   and name HG2%)
      4.600     2.600     1.400 peak    48 spectrum    1 weight  0.10000E+01 volume  0.39186E-03 ppm1      0.525 ppm2      8.679 CV     1
 ASSI {   52}
   (( segid "SF1 " and resid 118  and name HN  ))
   (  segid "SF1 " and resid 118  and name HB% )
      2.200     0.600     0.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.10153E-01 ppm1      1.462 ppm2      7.760 CV     1
 ASSI {   54}
   (( segid "SF1 " and resid 99   and name HN  ))
   (  segid "SF1 " and resid 99   and name HB% )
      2.600     0.800     0.800 peak    54 spectrum    1 weight  0.10000E+01 volume  0.41183E-02 ppm1      1.478 ppm2      9.260 CV     1
 ASSI {   56}
   (( segid "SF1 " and resid 117  and name HB1 ))
   (  segid "SF1 " and resid 118  and name HB% )
      3.100     1.200     1.200 peak    56 spectrum    1 weight  0.10000E+01 volume  0.26467E-02 ppm1      1.468 ppm2      1.993 CV     1
 ASSI {   57}
   (( segid "SF1 " and resid 49   and name HA2 ))
   (( segid "SF1 " and resid 49   and name HA1 ))
      2.300     0.700     0.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.29775E-02 ppm1      4.006 ppm2      3.511 CV     1
 ASSI {   58}
   (( segid "SF1 " and resid 52   and name HE2 ))
   (( segid "SF1 " and resid 49   and name HA1 ))
      5.600     3.900     0.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.19336E-03 ppm1      4.010 ppm2      2.667 CV     1
 OR {   58}
   (( segid "SF1 " and resid 52   and name HE1 ))
   (( segid "SF1 " and resid 49   and name HA1 ))
 ASSI {   60}
   (( segid "SF1 " and resid 52   and name HB1 ))
   (( segid "SF1 " and resid 49   and name HA2 ))
      4.000     2.000     2.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.50537E-03 ppm1      3.533 ppm2      2.456 CV     1
 ASSI {   65}
   (  segid "SF1 " and resid 113  and name HD% )
   (( segid "SF1 " and resid 110  and name HA2 ))
      3.600     1.700     1.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.34053E-03 ppm1      3.914 ppm2      6.500 CV     1
 ASSI {   68}
   (  segid "SF1 " and resid 42   and name HD2%)
   (  segid "SF1 " and resid 34   and name HG1%)
      2.400     0.700     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.23672E-02 ppm1      0.688 ppm2     -0.274 CV     1
 ASSI {   70}
   (( segid "SF1 " and resid 34   and name HB  ))
   (  segid "SF1 " and resid 34   and name HG1%)
      2.200     0.600     0.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.91834E-02 ppm1      0.685 ppm2      1.837 CV     1
 ASSI {   71}
   (( segid "SF1 " and resid 42   and name HB1 ))
   (  segid "SF1 " and resid 34   and name HG1%)
      2.700     0.900     0.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.22531E-02 ppm1      0.685 ppm2      1.703 CV     1
 ASSI {   72}
   (( segid "SF1 " and resid 34   and name HA  ))
   (  segid "SF1 " and resid 34   and name HG1%)
      3.300     1.300     1.300 peak    72 spectrum    1 weight  0.10000E+01 volume  0.10552E-02 ppm1      0.688 ppm2      3.660 CV     1
 ASSI {   74}
   (( segid "SF1 " and resid 25   and name HB1 ))
   (  segid "SF1 " and resid 34   and name HG1%)
      2.800     1.000     1.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.33711E-02 ppm1      0.686 ppm2      1.960 CV     1
 ASSI {   75}
   (( segid "SF1 " and resid 25   and name HG2 ))
   (  segid "SF1 " and resid 34   and name HG1%)
      3.800     1.800     1.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      0.685 ppm2      2.181 CV     1
 OR {   75}
   (( segid "SF1 " and resid 25   and name HG1 ))
   (  segid "SF1 " and resid 34   and name HG1%)
 ASSI {   76}
   (( segid "SF1 " and resid 36   and name HN  ))
   (  segid "SF1 " and resid 34   and name HG1%)
      3.600     1.700     1.700 peak    76 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      0.685 ppm2      7.246 CV     1
 ASSI {   77}
   (( segid "SF1 " and resid 34   and name HN  ))
   (  segid "SF1 " and resid 34   and name HG1%)
      2.500     0.800     0.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.51848E-02 ppm1      0.685 ppm2      7.739 CV     1
 ASSI {   80}
   (  segid "SF1 " and resid 43   and name HG2%)
   (  segid "SF1 " and resid 90   and name HG2%)
      3.200     1.300     1.300 peak    80 spectrum    1 weight  0.10000E+01 volume  0.15002E-02 ppm1      0.907 ppm2      1.335 CV     1
 ASSI {   84}
   (( segid "SF1 " and resid 29   and name HB  ))
   (  segid "SF1 " and resid 90   and name HG2%)
      3.500     1.500     1.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.92977E-03 ppm1      0.905 ppm2      3.011 CV     1
 ASSI {   86}
   (( segid "SF1 " and resid 87   and name HA  ))
   (  segid "SF1 " and resid 90   and name HG2%)
      2.700     0.900     0.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.21903E-02 ppm1      0.905 ppm2      3.815 CV     1
 ASSI {   87}
   (( segid "SF1 " and resid 90   and name HA  ))
   (  segid "SF1 " and resid 90   and name HG2%)
      3.900     1.900     1.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.78717E-03 ppm1      0.907 ppm2      4.206 CV     1
 ASSI {   89}
   (( segid "SF1 " and resid 88   and name HN  ))
   (  segid "SF1 " and resid 90   and name HG2%)
      4.300     2.300     1.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.37703E-03 ppm1      0.908 ppm2      7.567 CV     1
 ASSI {   91}
   (( segid "SF1 " and resid 90   and name HN  ))
   (  segid "SF1 " and resid 90   and name HG2%)
      2.300     0.700     0.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.50765E-02 ppm1      0.905 ppm2      8.285 CV     1
 ASSI {   92}
   (( segid "SF1 " and resid 87   and name HN  ))
   (  segid "SF1 " and resid 90   and name HG2%)
      4.700     2.800     1.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.26638E-03 ppm1      0.900 ppm2      8.517 CV     1
 ASSI {   93}
   (( segid "SF1 " and resid 89   and name HN  ))
   (  segid "SF1 " and resid 90   and name HG2%)
      4.800     2.900     1.200 peak    93 spectrum    1 weight  0.10000E+01 volume  0.23786E-03 ppm1      0.902 ppm2      8.614 CV     1
 ASSI {   94}
   (( segid "SF1 " and resid 29   and name HN  ))
   (  segid "SF1 " and resid 90   and name HG2%)
      4.000     2.000     2.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.45689E-03 ppm1      0.905 ppm2      8.792 CV     1
 ASSI {   95}
   (  segid "SF1 " and resid 41   and name HD2%)
   (  segid "SF1 " and resid 43   and name HG2%)
      2.500     0.800     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.65026E-02 ppm1      1.338 ppm2      0.710 CV     1
 OR {   95}
   (  segid "SF1 " and resid 41   and name HD1%)
   (  segid "SF1 " and resid 43   and name HG2%)
 ASSI {   96}
   (  segid "SF1 " and resid 29   and name HG1%)
   (  segid "SF1 " and resid 43   and name HG2%)
      2.800     1.000     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.33311E-02 ppm1      1.340 ppm2      0.979 CV     1
 ASSI {   99}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (  segid "SF1 " and resid 43   and name HG2%)
      3.400     1.400     1.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.11693E-02 ppm1      1.337 ppm2      2.336 CV     1
 ASSI {  100}
   (( segid "SF1 " and resid 47   and name HB1 ))
   (  segid "SF1 " and resid 43   and name HG2%)
      3.600     1.600     1.600 peak   100 spectrum    1 weight  0.10000E+01 volume  0.10552E-02 ppm1      1.332 ppm2      2.968 CV     1
 OR {  100}
   (( segid "SF1 " and resid 47   and name HB2 ))
   (  segid "SF1 " and resid 43   and name HG2%)
 ASSI {  101}
   (( segid "SF1 " and resid 87   and name HB2 ))
   (  segid "SF1 " and resid 43   and name HG2%)
      4.300     2.300     1.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.55555E-03 ppm1      1.333 ppm2      3.044 CV     1
 ASSI {  102}
   (( segid "SF1 " and resid 28   and name HG1 ))
   (  segid "SF1 " and resid 43   and name HG2%)
      3.400     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.14830E-02 ppm1      1.334 ppm2      2.260 CV     1
 ASSI {  103}
   (( segid "SF1 " and resid 38   and name HB2 ))
   (  segid "SF1 " and resid 43   and name HG2%)
      4.100     2.100     1.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.53844E-03 ppm1      1.342 ppm2      2.526 CV     1
 ASSI {  106}
   (  segid "SF1 " and resid 37   and name HD% )
   (  segid "SF1 " and resid 43   and name HG2%)
      4.600     2.600     1.400 peak   106 spectrum    1 weight  0.10000E+01 volume  0.25725E-03 ppm1      1.343 ppm2      6.688 CV     1
 OR {  106}
   (  segid "SF1 " and resid 37   and name HE% )
   (  segid "SF1 " and resid 43   and name HG2%)
 ASSI {  107}
   (( segid "SF1 " and resid 41   and name HN  ))
   (  segid "SF1 " and resid 43   and name HG2%)
      3.600     1.600     1.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.63884E-03 ppm1      1.332 ppm2      7.640 CV     1
 ASSI {  108}
   (( segid "SF1 " and resid 43   and name HN  ))
   (  segid "SF1 " and resid 43   and name HG2%)
      3.300     1.300     1.300 peak   108 spectrum    1 weight  0.10000E+01 volume  0.11522E-02 ppm1      1.340 ppm2      8.005 CV     1
 ASSI {  110}
   (( segid "SF1 " and resid 44   and name HN  ))
   (  segid "SF1 " and resid 43   and name HG2%)
      3.900     1.900     1.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.11978E-02 ppm1      1.338 ppm2      8.819 CV     1
 ASSI {  112}
   (( segid "SF1 " and resid 93   and name HB2 ))
   (  segid "SF1 " and resid 96   and name HB% )
      2.800     1.000     1.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.26181E-02 ppm1      1.801 ppm2      1.466 CV     1
 ASSI {  114}
   (( segid "SF1 " and resid 39   and name HB2 ))
   (  segid "SF1 " and resid 96   and name HB% )
      5.100     3.200     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.50878E-03 ppm1      1.803 ppm2      2.796 CV     1
 ASSI {  115}
   (( segid "SF1 " and resid 93   and name HD2 ))
   (  segid "SF1 " and resid 96   and name HB% )
      4.200     2.200     1.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.74721E-03 ppm1      1.808 ppm2      2.874 CV     1
 ASSI {  116}
   (( segid "SF1 " and resid 39   and name HB1 ))
   (  segid "SF1 " and resid 96   and name HB% )
      3.600     1.600     1.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.94114E-03 ppm1      1.801 ppm2      3.189 CV     1
 ASSI {  118}
   (  segid "SF1 " and resid 39   and name HD% )
   (  segid "SF1 " and resid 96   and name HB% )
      2.400     0.700     0.700 peak   118 spectrum    1 weight  0.10000E+01 volume  0.53504E-02 ppm1      1.802 ppm2      6.822 CV     1
 ASSI {  121}
   (( segid "SF1 " and resid 40   and name HN  ))
   (  segid "SF1 " and resid 96   and name HB% )
      3.700     1.700     1.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.97537E-03 ppm1      1.802 ppm2      8.363 CV     1
 ASSI {  123}
   (( segid "SF1 " and resid 93   and name HN  ))
   (  segid "SF1 " and resid 96   and name HB% )
      3.700     3.700     2.300 peak   123 spectrum    1 weight  0.10000E+01 volume  0.58181E-03 ppm1      1.803 ppm2      8.740 CV     1
 ASSI {  126}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (  segid "SF1 " and resid 90   and name HG1%)
      2.500     0.800     0.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.47685E-02 ppm1      0.923 ppm2      1.468 CV     1
 OR {  126}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (  segid "SF1 " and resid 90   and name HG1%)
 ASSI {  128}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (  segid "SF1 " and resid 90   and name HG1%)
      2.400     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.47286E-02 ppm1      0.923 ppm2      1.862 CV     1
 OR {  128}
   (( segid "SF1 " and resid 28   and name HB2 ))
   (  segid "SF1 " and resid 90   and name HG1%)
 ASSI {  130}
   (( segid "SF1 " and resid 90   and name HB  ))
   (  segid "SF1 " and resid 90   and name HG1%)
      2.100     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.96968E-02 ppm1      0.922 ppm2      2.331 CV     1
 ASSI {  131}
   (( segid "SF1 " and resid 86   and name HE2 ))
   (  segid "SF1 " and resid 90   and name HG1%)
      3.800     1.800     1.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.73583E-03 ppm1      0.923 ppm2      3.087 CV     1
 ASSI {  132}
   (( segid "SF1 " and resid 86   and name HE1 ))
   (  segid "SF1 " and resid 90   and name HG1%)
      3.400     1.400     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.80997E-03 ppm1      0.924 ppm2      3.264 CV     1
 ASSI {  133}
   (( segid "SF1 " and resid 29   and name HA  ))
   (  segid "SF1 " and resid 90   and name HG1%)
      3.700     1.700     1.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.51848E-03 ppm1      0.922 ppm2      3.677 CV     1
 ASSI {  134}
   (( segid "SF1 " and resid 90   and name HA  ))
   (  segid "SF1 " and resid 90   and name HG1%)
      3.100     1.200     1.200 peak   134 spectrum    1 weight  0.10000E+01 volume  0.15401E-02 ppm1      0.920 ppm2      4.222 CV     1
 ASSI {  135}
   (( segid "SF1 " and resid 91   and name HN  ))
   (  segid "SF1 " and resid 90   and name HG1%)
      4.700     2.800     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.34680E-03 ppm1      0.924 ppm2      7.122 CV     1
 ASSI {  137}
   (( segid "SF1 " and resid 90   and name HN  ))
   (  segid "SF1 " and resid 90   and name HG1%)
      2.400     0.700     0.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.46145E-02 ppm1      0.922 ppm2      8.285 CV     1
 ASSI {  139}
   (  segid "SF1 " and resid 55   and name HG1%)
   (  segid "SF1 " and resid 54   and name HG2%)
      3.700     1.700     1.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.87269E-03 ppm1     -0.142 ppm2      0.765 CV     1
 ASSI {  140}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (  segid "SF1 " and resid 54   and name HG2%)
      3.300     1.300     1.300 peak   140 spectrum    1 weight  0.10000E+01 volume  0.40384E-02 ppm1     -0.147 ppm2      1.072 CV     1
 OR {  140}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (  segid "SF1 " and resid 54   and name HG2%)
 ASSI {  141}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (  segid "SF1 " and resid 54   and name HG2%)
      3.700     1.700     1.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1     -0.146 ppm2      1.288 CV     1
 ASSI {  146}
   (( segid "SF1 " and resid 54   and name HG1 ))
   (  segid "SF1 " and resid 54   and name HG2%)
      3.600     1.600     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.78717E-03 ppm1     -0.153 ppm2      4.042 CV     1
 ASSI {  147}
   (  segid "SF1 " and resid 61   and name HE% )
   (  segid "SF1 " and resid 54   and name HG2%)
      2.700     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.34167E-02 ppm1     -0.148 ppm2      6.515 CV     1
 ASSI {  148}
   (( segid "SF1 " and resid 57   and name HN  ))
   (  segid "SF1 " and resid 54   and name HG2%)
      4.300     2.300     1.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.38958E-03 ppm1     -0.144 ppm2      6.754 CV     1
 ASSI {  149}
   (( segid "SF1 " and resid 84   and name HZ  ))
   (  segid "SF1 " and resid 54   and name HG2%)
      4.000     2.000     2.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.44890E-03 ppm1     -0.150 ppm2      6.896 CV     1
 ASSI {  150}
   (  segid "SF1 " and resid 61   and name HD% )
   (  segid "SF1 " and resid 54   and name HG2%)
      3.300     1.400     1.400 peak   150 spectrum    1 weight  0.10000E+01 volume  0.11465E-02 ppm1     -0.145 ppm2      7.106 CV     1
 ASSI {  151}
   (  segid "SF1 " and resid 84   and name HD% )
   (  segid "SF1 " and resid 54   and name HG2%)
      3.300     1.400     1.400 peak   151 spectrum    1 weight  0.10000E+01 volume  0.98111E-03 ppm1     -0.149 ppm2      7.309 CV     1
 ASSI {  155}
   (( segid "SF1 " and resid 80   and name HB1 ))
   (( segid "SF1 " and resid 80   and name HD1 ))
      4.100     2.100     1.900 peak   155 spectrum    1 weight  0.10000E+01 volume  0.35935E-03 ppm1      4.068 ppm2      0.547 CV     1
 ASSI {  156}
   (( segid "SF1 " and resid 80   and name HB1 ))
   (( segid "SF1 " and resid 80   and name HD2 ))
      4.200     2.200     1.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.69018E-03 ppm1      3.227 ppm2      0.557 CV     1
 ASSI {  157}
   (( segid "SF1 " and resid 80   and name HB2 ))
   (( segid "SF1 " and resid 80   and name HD1 ))
      5.000     3.100     1.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.27037E-03 ppm1      4.082 ppm2      1.660 CV     1
 ASSI {  158}
   (( segid "SF1 " and resid 80   and name HB2 ))
   (( segid "SF1 " and resid 80   and name HD2 ))
      4.300     2.300     1.700 peak   158 spectrum    1 weight  0.10000E+01 volume  0.46715E-03 ppm1      3.221 ppm2      1.651 CV     1
 ASSI {  159}
   (( segid "SF1 " and resid 80   and name HG2 ))
   (( segid "SF1 " and resid 80   and name HD2 ))
      2.400     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.43464E-02 ppm1      3.221 ppm2      1.887 CV     1
 OR {  159}
   (( segid "SF1 " and resid 80   and name HG1 ))
   (( segid "SF1 " and resid 80   and name HD2 ))
 ASSI {  160}
   (( segid "SF1 " and resid 80   and name HG1 ))
   (( segid "SF1 " and resid 80   and name HD1 ))
      2.700     0.900     0.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.23044E-02 ppm1      4.084 ppm2      1.890 CV     1
 OR {  160}
   (( segid "SF1 " and resid 80   and name HG2 ))
   (( segid "SF1 " and resid 80   and name HD1 ))
 ASSI {  161}
   (( segid "SF1 " and resid 80   and name HD2 ))
   (( segid "SF1 " and resid 80   and name HD1 ))
      2.000     0.500     0.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.53616E-02 ppm1      4.084 ppm2      3.214 CV     1
 ASSI {  163}
   (( segid "SF1 " and resid 79   and name HA  ))
   (( segid "SF1 " and resid 80   and name HD1 ))
      3.200     1.300     1.300 peak   163 spectrum    1 weight  0.10000E+01 volume  0.85557E-03 ppm1      4.079 ppm2      4.968 CV     1
 ASSI {  167}
   (( segid "SF1 " and resid 81   and name HN  ))
   (( segid "SF1 " and resid 80   and name HD1 ))
      4.600     2.600     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.50024E-03 ppm1      4.079 ppm2      8.508 CV     1
 ASSI {  168}
   (( segid "SF1 " and resid 79   and name HN  ))
   (( segid "SF1 " and resid 80   and name HD1 ))
      5.000     3.100     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.12606E-03 ppm1      4.085 ppm2      6.890 CV     1
 ASSI {  169}
   (( segid "SF1 " and resid 111  and name HB2 ))
   (( segid "SF1 " and resid 111  and name HD2 ))
      3.300     1.300     1.300 peak   169 spectrum    1 weight  0.10000E+01 volume  0.11807E-02 ppm1      3.523 ppm2      1.739 CV     1
 ASSI {  170}
   (( segid "SF1 " and resid 111  and name HG2 ))
   (( segid "SF1 " and resid 111  and name HD1 ))
      3.300     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.14659E-02 ppm1      3.625 ppm2      1.888 CV     1
 ASSI {  171}
   (( segid "SF1 " and resid 111  and name HG1 ))
   (( segid "SF1 " and resid 111  and name HD1 ))
      2.500     0.800     0.800 peak   171 spectrum    1 weight  0.10000E+01 volume  0.25554E-02 ppm1      3.622 ppm2      1.979 CV     1
 ASSI {  172}
   (( segid "SF1 " and resid 111  and name HG1 ))
   (( segid "SF1 " and resid 111  and name HD2 ))
      3.000     1.100     1.100 peak   172 spectrum    1 weight  0.10000E+01 volume  0.31486E-02 ppm1      3.526 ppm2      1.974 CV     1
 ASSI {  173}
   (( segid "SF1 " and resid 111  and name HG2 ))
   (( segid "SF1 " and resid 111  and name HD2 ))
      2.400     0.700     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.30117E-02 ppm1      3.527 ppm2      1.880 CV     1
 ASSI {  174}
   (( segid "SF1 " and resid 111  and name HB1 ))
   (( segid "SF1 " and resid 111  and name HD2 ))
      4.300     2.300     1.700 peak   174 spectrum    1 weight  0.10000E+01 volume  0.64452E-03 ppm1      3.528 ppm2      2.345 CV     1
 ASSI {  175}
   (( segid "SF1 " and resid 111  and name HB1 ))
   (( segid "SF1 " and resid 111  and name HD1 ))
      5.300     3.500     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.16770E-03 ppm1      3.615 ppm2      2.321 CV     1
 ASSI {  176}
   (( segid "SF1 " and resid 112  and name HN  ))
   (( segid "SF1 " and resid 111  and name HD2 ))
      3.400     1.400     1.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.46830E-03 ppm1      3.525 ppm2      7.406 CV     1
 ASSI {  179}
   (( segid "SF1 " and resid 112  and name HN  ))
   (( segid "SF1 " and resid 111  and name HD1 ))
      5.200     3.400     0.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.16770E-03 ppm1      3.630 ppm2      7.395 CV     1
 ASSI {  181}
   (( segid "SF1 " and resid 110  and name HA1 ))
   (( segid "SF1 " and resid 111  and name HD2 ))
      3.700     1.700     1.700 peak   181 spectrum    1 weight  0.10000E+01 volume  0.86131E-03 ppm1      3.532 ppm2      4.122 CV     1
 ASSI {  182}
   (  segid "SF1 " and resid 55   and name HG2%)
   (  segid "SF1 " and resid 55   and name HG1%)
      2.200     0.600     0.600 peak   182 spectrum    1 weight  0.10000E+01 volume  0.11180E-01 ppm1      0.766 ppm2      0.253 CV     1
 ASSI {  183}
   (( segid "SF1 " and resid 55   and name HB  ))
   (  segid "SF1 " and resid 55   and name HG1%)
      2.100     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.12549E-01 ppm1      0.766 ppm2      1.525 CV     1
 ASSI {  188}
   (( segid "SF1 " and resid 56   and name HA  ))
   (  segid "SF1 " and resid 55   and name HG1%)
      4.100     2.100     1.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.39928E-03 ppm1      0.760 ppm2      3.811 CV     1
 ASSI {  190}
   (  segid "SF1 " and resid 51   and name HE% )
   (  segid "SF1 " and resid 55   and name HG1%)
      3.200     1.300     1.300 peak   190 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      0.770 ppm2      6.812 CV     1
 ASSI {  191}
   (( segid "SF1 " and resid 55   and name HN  ))
   (  segid "SF1 " and resid 55   and name HG1%)
      3.100     1.200     1.200 peak   191 spectrum    1 weight  0.10000E+01 volume  0.23843E-02 ppm1      0.766 ppm2      7.637 CV     1
 ASSI {  193}
   (( segid "SF1 " and resid 56   and name HN  ))
   (  segid "SF1 " and resid 55   and name HG1%)
      3.600     1.600     1.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.10781E-02 ppm1      0.766 ppm2      8.821 CV     1
 ASSI {  195}
   (( segid "SF1 " and resid 63   and name HB2 ))
   (  segid "SF1 " and resid 62   and name HG2%)
      3.700     1.800     1.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.95826E-03 ppm1      1.028 ppm2      2.392 CV     1
 ASSI {  196}
   (( segid "SF1 " and resid 51   and name HA  ))
   (( segid "SF1 " and resid 52   and name HG2 ))
      4.600     2.700     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.33197E-03 ppm1      1.023 ppm2      3.719 CV     1
 ASSI {  199}
   (( segid "SF1 " and resid 63   and name HN  ))
   (  segid "SF1 " and resid 62   and name HG2%)
      3.000     1.100     1.100 peak   199 spectrum    1 weight  0.10000E+01 volume  0.24128E-02 ppm1      1.022 ppm2      8.416 CV     1
 ASSI {  200}
   (( segid "SF1 " and resid 62   and name HN  ))
   (  segid "SF1 " and resid 62   and name HG2%)
      3.800     1.800     1.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.69587E-03 ppm1      1.023 ppm2      8.676 CV     1
 ASSI {  201}
   (( segid "SF1 " and resid 64   and name HN  ))
   (  segid "SF1 " and resid 62   and name HG2%)
      4.000     2.000     2.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.32342E-03 ppm1      1.020 ppm2      9.297 CV     1
 ASSI {  202}
   (  segid "SF1 " and resid 97   and name HG2%)
   (  segid "SF1 " and resid 97   and name HG1%)
      2.000     0.500     0.500 peak   202 spectrum    1 weight  0.10000E+01 volume  0.21960E-01 ppm1      0.823 ppm2      0.630 CV     1
 ASSI {  203}
   (( segid "SF1 " and resid 55   and name HB  ))
   (  segid "SF1 " and resid 97   and name HG1%)
      2.400     0.700     0.700 peak   203 spectrum    1 weight  0.10000E+01 volume  0.72440E-02 ppm1      0.825 ppm2      1.519 CV     1
 ASSI {  205}
   (( segid "SF1 " and resid 97   and name HB  ))
   (  segid "SF1 " and resid 97   and name HG1%)
      2.100     0.600     0.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.11636E-01 ppm1      0.824 ppm2      2.099 CV     1
 ASSI {  206}
   (( segid "SF1 " and resid 56   and name HG1 ))
   (  segid "SF1 " and resid 97   and name HG1%)
      3.100     1.200     1.200 peak   206 spectrum    1 weight  0.10000E+01 volume  0.21618E-02 ppm1      0.826 ppm2      2.602 CV     1
 ASSI {  207}
   (( segid "SF1 " and resid 98   and name HN  ))
   (  segid "SF1 " and resid 97   and name HG1%)
      3.200     1.300     1.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.15743E-02 ppm1      0.824 ppm2      0.066 CV     1
 ASSI {  208}
   (  segid "SF1 " and resid 55   and name HG2%)
   (  segid "SF1 " and resid 97   and name HG1%)
      2.500     0.800     0.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.52762E-02 ppm1      0.820 ppm2      0.252 CV     1
 ASSI {  210}
   (( segid "SF1 " and resid 56   and name HA  ))
   (  segid "SF1 " and resid 97   and name HG1%)
      3.400     1.400     1.400 peak   210 spectrum    1 weight  0.10000E+01 volume  0.12378E-02 ppm1      0.820 ppm2      3.837 CV     1
 ASSI {  211}
   (  segid "SF1 " and resid 51   and name HD% )
   (  segid "SF1 " and resid 97   and name HG1%)
      3.600     1.600     1.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.78717E-03 ppm1      0.827 ppm2      7.058 CV     1
 ASSI {  212}
   (( segid "SF1 " and resid 55   and name HN  ))
   (  segid "SF1 " and resid 97   and name HG1%)
      3.900     1.900     1.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.19223E-02 ppm1      0.825 ppm2      7.646 CV     1
 ASSI {  213}
   (( segid "SF1 " and resid 56   and name HN  ))
   (  segid "SF1 " and resid 97   and name HG1%)
      3.500     1.500     1.500 peak   213 spectrum    1 weight  0.10000E+01 volume  0.13632E-02 ppm1      0.824 ppm2      8.811 CV     1
 ASSI {  214}
   (  segid "SF1 " and resid 90   and name HG1%)
   (  segid "SF1 " and resid 89   and name HG2%)
      2.500     0.800     0.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.63315E-02 ppm1      1.232 ppm2      0.917 CV     1
 ASSI {  215}
   (( segid "SF1 " and resid 86   and name HD2 ))
   (  segid "SF1 " and resid 89   and name HG2%)
      2.900     1.100     1.100 peak   215 spectrum    1 weight  0.10000E+01 volume  0.25497E-02 ppm1      1.234 ppm2      1.760 CV     1
 ASSI {  216}
   (( segid "SF1 " and resid 52   and name HG1 ))
   (( segid "SF1 " and resid 52   and name HG2 ))
      1.800     0.400     0.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.10324E-01 ppm1      1.036 ppm2      1.499 CV     1
 OR {  216}
   (( segid "SF1 " and resid 52   and name HD2 ))
   (( segid "SF1 " and resid 52   and name HG2 ))
 ASSI {  218}
   (( segid "SF1 " and resid 52   and name HB2 ))
   (( segid "SF1 " and resid 52   and name HG2 ))
      3.400     1.400     1.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.14146E-02 ppm1      1.034 ppm2      1.839 CV     1
 ASSI {  219}
   (( segid "SF1 " and resid 52   and name HD1 ))
   (( segid "SF1 " and resid 52   and name HG1 ))
      2.800     1.000     1.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.17340E-02 ppm1      1.514 ppm2      1.717 CV     1
 ASSI {  220}
   (( segid "SF1 " and resid 52   and name HB2 ))
   (( segid "SF1 " and resid 52   and name HG1 ))
      2.900     1.100     1.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1      1.512 ppm2      1.845 CV     1
 ASSI {  222}
   (( segid "SF1 " and resid 52   and name HE2 ))
   (( segid "SF1 " and resid 52   and name HG1 ))
      3.700     1.700     1.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.62746E-03 ppm1      1.524 ppm2      2.687 CV     1
 OR {  222}
   (( segid "SF1 " and resid 52   and name HE1 ))
   (( segid "SF1 " and resid 52   and name HG1 ))
 ASSI {  224}
   (( segid "SF1 " and resid 52   and name HB1 ))
   (( segid "SF1 " and resid 52   and name HG2 ))
      2.900     1.000     1.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.11807E-02 ppm1      1.038 ppm2      2.482 CV     1
 ASSI {  225}
   (( segid "SF1 " and resid 52   and name HG2 ))
   (( segid "SF1 " and resid 52   and name HG1 ))
      1.900     0.500     0.500 peak   225 spectrum    1 weight  0.10000E+01 volume  0.59324E-02 ppm1      1.523 ppm2      1.034 CV     1
 ASSI {  226}
   (( segid "SF1 " and resid 85   and name HB1 ))
   (  segid "SF1 " and resid 89   and name HG2%)
      3.800     1.800     1.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.80428E-03 ppm1      1.237 ppm2      1.968 CV     1
 OR {  226}
   (( segid "SF1 " and resid 85   and name HG2 ))
   (  segid "SF1 " and resid 89   and name HG2%)
 ASSI {  234}
   (( segid "SF1 " and resid 52   and name HA  ))
   (( segid "SF1 " and resid 52   and name HG1 ))
      3.700     1.700     1.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.56470E-03 ppm1      1.525 ppm2      3.444 CV     1
 ASSI {  236}
   (  segid "SF1 " and resid 42   and name HD1%)
   (  segid "SF1 " and resid 42   and name HD2%)
      2.500     0.800     0.800 peak   236 spectrum    1 weight  0.10000E+01 volume  0.62172E-02 ppm1     -0.242 ppm2      0.608 CV     1
 ASSI {  237}
   (( segid "SF1 " and resid 42   and name HG  ))
   (  segid "SF1 " and resid 42   and name HD2%)
      2.700     0.900     0.900 peak   237 spectrum    1 weight  0.10000E+01 volume  0.25839E-02 ppm1     -0.245 ppm2      1.096 CV     1
 ASSI {  239}
   (  segid "SF1 " and resid 54   and name HG2%)
   (  segid "SF1 " and resid 55   and name HG2%)
      3.300     1.400     1.400 peak   239 spectrum    1 weight  0.10000E+01 volume  0.26580E-02 ppm1      0.255 ppm2     -0.150 CV     1
 ASSI {  240}
   (  segid "SF1 " and resid 97   and name HG2%)
   (  segid "SF1 " and resid 55   and name HG2%)
      2.400     0.700     0.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.65026E-02 ppm1      0.257 ppm2      0.627 CV     1
 ASSI {  242}
   (  segid "SF1 " and resid 94   and name HD2%)
   (  segid "SF1 " and resid 55   and name HG2%)
      2.000     0.500     0.500 peak   242 spectrum    1 weight  0.10000E+01 volume  0.78717E-02 ppm1      0.257 ppm2      0.945 CV     1
 ASSI {  243}
   (( segid "SF1 " and resid 88   and name HG  ))
   (  segid "SF1 " and resid 55   and name HG2%)
      4.000     2.000     2.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.70160E-03 ppm1      0.257 ppm2      1.138 CV     1
 ASSI {  244}
   (( segid "SF1 " and resid 55   and name HB  ))
   (  segid "SF1 " and resid 55   and name HG2%)
      2.300     0.700     0.700 peak   244 spectrum    1 weight  0.10000E+01 volume  0.57612E-02 ppm1      0.257 ppm2      1.524 CV     1
 ASSI {  248}
   (( segid "SF1 " and resid 54   and name HB  ))
   (  segid "SF1 " and resid 55   and name HG2%)
      3.800     1.800     1.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.87843E-03 ppm1      0.260 ppm2      3.508 CV     1
 ASSI {  250}
   (( segid "SF1 " and resid 55   and name HN  ))
   (  segid "SF1 " and resid 55   and name HG2%)
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.47400E-02 ppm1      0.256 ppm2      7.633 CV     1
 ASSI {  251}
   (  segid "SF1 " and resid 84   and name HE% )
   (  segid "SF1 " and resid 55   and name HG2%)
      2.900     1.000     1.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.23158E-02 ppm1      0.257 ppm2      7.033 CV     1
 ASSI {  253}
   (( segid "SF1 " and resid 51   and name HZ  ))
   (  segid "SF1 " and resid 55   and name HG2%)
      4.100     2.100     1.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.37475E-03 ppm1      0.255 ppm2      6.685 CV     1
 ASSI {  254}
   (  segid "SF1 " and resid 42   and name HD2%)
   (  segid "SF1 " and resid 34   and name HG2%)
      3.000     1.100     1.100 peak   254 spectrum    1 weight  0.10000E+01 volume  0.24527E-02 ppm1      0.612 ppm2     -0.282 CV     1
 ASSI {  256}
   (  segid "SF1 " and resid 94   and name HD2%)
   (  segid "SF1 " and resid 97   and name HG2%)
      2.300     2.300     3.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.36905E-02 ppm1      0.635 ppm2      0.965 CV     1
 OR {  256}
   (  segid "SF1 " and resid 94   and name HD1%)
   (  segid "SF1 " and resid 97   and name HG2%)
 ASSI {  257}
   (( segid "SF1 " and resid 42   and name HG  ))
   (  segid "SF1 " and resid 34   and name HG2%)
      3.200     1.300     1.300 peak   257 spectrum    1 weight  0.10000E+01 volume  0.21789E-02 ppm1      0.625 ppm2      1.103 CV     1
 ASSI {  258}
   (( segid "SF1 " and resid 55   and name HB  ))
   (  segid "SF1 " and resid 97   and name HG2%)
      2.600     0.800     0.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.51280E-02 ppm1      0.637 ppm2      1.513 CV     1
 ASSI {  261}
   (( segid "SF1 " and resid 97   and name HB  ))
   (  segid "SF1 " and resid 97   and name HG2%)
      2.300     0.700     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.65595E-02 ppm1      0.637 ppm2      2.104 CV     1
 ASSI {  266}
   (( segid "SF1 " and resid 36   and name HN  ))
   (  segid "SF1 " and resid 34   and name HG2%)
      3.000     1.100     1.100 peak   266 spectrum    1 weight  0.10000E+01 volume  0.19108E-02 ppm1      0.617 ppm2      7.246 CV     1
 ASSI {  270}
   (( segid "SF1 " and resid 35   and name HN  ))
   (  segid "SF1 " and resid 34   and name HG2%)
      3.600     1.600     1.600 peak   270 spectrum    1 weight  0.10000E+01 volume  0.98680E-03 ppm1      0.615 ppm2      8.979 CV     1
 ASSI {  271}
   (( segid "SF1 " and resid 56   and name HN  ))
   (  segid "SF1 " and resid 97   and name HG2%)
      4.000     2.000     2.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.45233E-03 ppm1      0.631 ppm2      8.814 CV     1
 ASSI {  272}
   (( segid "SF1 " and resid 42   and name HN  ))
   (  segid "SF1 " and resid 34   and name HG2%)
      5.100     3.200     0.900 peak   272 spectrum    1 weight  0.10000E+01 volume  0.35251E-03 ppm1      0.629 ppm2      8.123 CV     1
 ASSI {  273}
   (( segid "SF1 " and resid 99   and name HN  ))
   (  segid "SF1 " and resid 97   and name HG2%)
      3.600     1.600     1.600 peak   273 spectrum    1 weight  0.10000E+01 volume  0.23500E-03 ppm1      0.636 ppm2      9.240 CV     1
 ASSI {  276}
   (( segid "SF1 " and resid 34   and name HN  ))
   (  segid "SF1 " and resid 26   and name HD2%)
      3.800     1.800     1.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.69587E-03 ppm1      0.722 ppm2      7.737 CV     1
 ASSI {  277}
   (( segid "SF1 " and resid 26   and name HA  ))
   (  segid "SF1 " and resid 26   and name HD2%)
      4.000     2.000     2.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.30003E-03 ppm1      0.726 ppm2      4.673 CV     1
 ASSI {  279}
   (( segid "SF1 " and resid 33   and name HB1 ))
   (  segid "SF1 " and resid 26   and name HD2%)
      2.900     2.900     3.100 peak   279 spectrum    1 weight  0.10000E+01 volume  0.35935E-02 ppm1      0.726 ppm2      1.798 CV     1
 ASSI {  280}
   (( segid "SF1 " and resid 26   and name HG  ))
   (  segid "SF1 " and resid 26   and name HD2%)
      2.000     0.500     0.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.17511E-01 ppm1      0.724 ppm2      1.562 CV     1
 OR {  280}
   (( segid "SF1 " and resid 26   and name HB1 ))
   (  segid "SF1 " and resid 26   and name HD2%)
 ASSI {  281}
   (( segid "SF1 " and resid 26   and name HB2 ))
   (  segid "SF1 " and resid 26   and name HD2%)
      2.900     1.000     1.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.66738E-02 ppm1      0.724 ppm2      1.151 CV     1
 ASSI {  282}
   (  segid "SF1 " and resid 26   and name HD1%)
   (  segid "SF1 " and resid 26   and name HD2%)
      1.800     0.400     0.400 peak   282 spectrum    1 weight  0.10000E+01 volume  0.44890E-01 ppm1      0.726 ppm2      0.857 CV     1
 ASSI {  283}
   (  segid "SF1 " and resid 55   and name HG1%)
   (  segid "SF1 " and resid 97   and name HG2%)
      2.100     0.500     0.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.20648E-01 ppm1      0.635 ppm2      0.786 CV     1
 ASSI {  284}
   (( segid "SF1 " and resid 39   and name HH  ))
   (  segid "SF1 " and resid 97   and name HG2%)
      3.500     1.500     1.500 peak   284 spectrum    1 weight  0.10000E+01 volume  0.80428E-03 ppm1      0.632 ppm2      1.344 CV     1
 ASSI {  286}
   (  segid "SF1 " and resid 51   and name HE% )
   (  segid "SF1 " and resid 97   and name HG2%)
      2.800     1.000     1.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.31942E-02 ppm1      0.636 ppm2      6.825 CV     1
 ASSI {  289}
   (( segid "SF1 " and resid 97   and name HN  ))
   (  segid "SF1 " and resid 97   and name HG2%)
      2.600     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.54931E-02 ppm1      0.636 ppm2      7.686 CV     1
 ASSI {  290}
   (  segid "SF1 " and resid 55   and name HG2%)
   (  segid "SF1 " and resid 88   and name HD1%)
      3.100     3.100     2.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.32342E-02 ppm1      0.786 ppm2      0.259 CV     1
 ASSI {  291}
   (  segid "SF1 " and resid 88   and name HD2%)
   (  segid "SF1 " and resid 88   and name HD1%)
      2.000     0.500     0.500 peak   291 spectrum    1 weight  0.10000E+01 volume  0.21333E-01 ppm1      0.788 ppm2      0.577 CV     1
 ASSI {  292}
   (  segid "SF1 " and resid 94   and name HD2%)
   (  segid "SF1 " and resid 88   and name HD1%)
      2.100     0.500     0.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.20477E-01 ppm1      0.791 ppm2      0.948 CV     1
 ASSI {  293}
   (( segid "SF1 " and resid 88   and name HG  ))
   (  segid "SF1 " and resid 88   and name HD1%)
      2.200     0.600     0.600 peak   293 spectrum    1 weight  0.10000E+01 volume  0.86131E-02 ppm1      0.787 ppm2      1.146 CV     1
 ASSI {  294}
   (( segid "SF1 " and resid 88   and name HB2 ))
   (  segid "SF1 " and resid 88   and name HD1%)
      2.400     0.700     0.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.50934E-02 ppm1      0.788 ppm2      1.332 CV     1
 ASSI {  295}
   (( segid "SF1 " and resid 88   and name HB1 ))
   (  segid "SF1 " and resid 88   and name HD1%)
      2.700     0.900     0.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.73009E-02 ppm1      0.787 ppm2      1.842 CV     1
 ASSI {  296}
   (( segid "SF1 " and resid 88   and name HA  ))
   (  segid "SF1 " and resid 88   and name HD1%)
      3.200     1.300     1.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.20420E-02 ppm1      0.787 ppm2      4.143 CV     1
 ASSI {  297}
   (( segid "SF1 " and resid 51   and name HZ  ))
   (  segid "SF1 " and resid 88   and name HD1%)
      3.100     1.200     1.200 peak   297 spectrum    1 weight  0.10000E+01 volume  0.20420E-02 ppm1      0.788 ppm2      6.696 CV     1
 ASSI {  298}
   (  segid "SF1 " and resid 51   and name HE% )
   (  segid "SF1 " and resid 88   and name HD1%)
      2.700     2.700     3.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.31828E-02 ppm1      0.788 ppm2      6.812 CV     1
 ASSI {  300}
   (  segid "SF1 " and resid 84   and name HE% )
   (  segid "SF1 " and resid 88   and name HD1%)
      3.200     1.300     1.300 peak   300 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      0.788 ppm2      7.034 CV     1
 ASSI {  304}
   (( segid "SF1 " and resid 87   and name HN  ))
   (  segid "SF1 " and resid 29   and name HG2%)
      3.500     1.600     1.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.88411E-03 ppm1      0.846 ppm2      8.501 CV     1
 ASSI {  306}
   (( segid "SF1 " and resid 29   and name HB  ))
   (  segid "SF1 " and resid 29   and name HG2%)
      2.300     0.600     0.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.70729E-02 ppm1      0.844 ppm2      2.978 CV     1
 ASSI {  308}
   (  segid "SF1 " and resid 29   and name HG1%)
   (  segid "SF1 " and resid 29   and name HG2%)
      2.000     0.500     0.500 peak   308 spectrum    1 weight  0.10000E+01 volume  0.19736E-01 ppm1      0.844 ppm2      0.968 CV     1
 ASSI {  309}
   (( segid "SF1 " and resid 83   and name HG1 ))
   (  segid "SF1 " and resid 29   and name HG2%)
      2.600     0.800     0.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.51620E-02 ppm1      0.844 ppm2      1.159 CV     1
 ASSI {  310}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (  segid "SF1 " and resid 29   and name HG2%)
      2.500     0.800     0.800 peak   310 spectrum    1 weight  0.10000E+01 volume  0.43122E-02 ppm1      0.844 ppm2      1.468 CV     1
 OR {  310}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (  segid "SF1 " and resid 29   and name HG2%)
 ASSI {  311}
   (( segid "SF1 " and resid 86   and name HB2 ))
   (  segid "SF1 " and resid 29   and name HG2%)
      2.900     1.100     1.100 peak   311 spectrum    1 weight  0.10000E+01 volume  0.63315E-02 ppm1      0.844 ppm2      1.818 CV     1
 OR {  311}
   (( segid "SF1 " and resid 86   and name HD1 ))
   (  segid "SF1 " and resid 29   and name HG2%)
 ASSI {  313}
   (( segid "SF1 " and resid 86   and name HB1 ))
   (  segid "SF1 " and resid 29   and name HG2%)
      2.500     0.800     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.53103E-02 ppm1      0.844 ppm2      2.181 CV     1
 ASSI {  315}
   (( segid "SF1 " and resid 30   and name HB1 ))
   (  segid "SF1 " and resid 29   and name HG2%)
      3.600     1.600     1.600 peak   315 spectrum    1 weight  0.10000E+01 volume  0.96968E-03 ppm1      0.844 ppm2      2.707 CV     1
 ASSI {  317}
   (( segid "SF1 " and resid 30   and name HN  ))
   (  segid "SF1 " and resid 29   and name HG2%)
      3.400     1.400     1.400 peak   317 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      0.844 ppm2      7.567 CV     1
 ASSI {  318}
   (( segid "SF1 " and resid 86   and name HN  ))
   (  segid "SF1 " and resid 29   and name HG2%)
      4.500     2.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.32684E-03 ppm1      0.846 ppm2      7.969 CV     1
 ASSI {  322}
   (( segid "SF1 " and resid 75   and name HG1 ))
   (  segid "SF1 " and resid 74   and name HG2%)
      3.600     1.600     1.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      1.191 ppm2      2.410 CV     1
 ASSI {  323}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (  segid "SF1 " and resid 74   and name HG2%)
      3.200     3.200     2.800 peak   323 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      1.191 ppm2      2.346 CV     1
 OR {  323}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (  segid "SF1 " and resid 74   and name HG2%)
 ASSI {  324}
   (( segid "SF1 " and resid 74   and name HB  ))
   (  segid "SF1 " and resid 74   and name HG2%)
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.53220E-02 ppm1      1.189 ppm2      4.196 CV     1
 OR {  324}
   (( segid "SF1 " and resid 74   and name HA  ))
   (  segid "SF1 " and resid 74   and name HG2%)
 ASSI {  326}
   (( segid "SF1 " and resid 75   and name HN  ))
   (  segid "SF1 " and resid 74   and name HG2%)
      3.900     1.900     1.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.83846E-03 ppm1      1.192 ppm2      8.633 CV     1
 ASSI {  331}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 28   and name HD2 ))
      3.900     1.900     1.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.52417E-03 ppm1      4.007 ppm2      0.597 CV     1
 ASSI {  333}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (( segid "SF1 " and resid 28   and name HD1 ))
      3.400     1.500     1.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.14830E-02 ppm1      4.418 ppm2      1.858 CV     1
 OR {  333}
   (( segid "SF1 " and resid 28   and name HB2 ))
   (( segid "SF1 " and resid 28   and name HD1 ))
 ASSI {  334}
   (( segid "SF1 " and resid 28   and name HG1 ))
   (( segid "SF1 " and resid 28   and name HD1 ))
      3.000     1.100     1.100 peak   334 spectrum    1 weight  0.10000E+01 volume  0.86700E-03 ppm1      4.422 ppm2      2.255 CV     1
 ASSI {  335}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (( segid "SF1 " and resid 28   and name HD2 ))
      3.200     1.300     1.300 peak   335 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      4.003 ppm2      1.869 CV     1
 OR {  335}
   (( segid "SF1 " and resid 28   and name HB2 ))
   (( segid "SF1 " and resid 28   and name HD2 ))
 ASSI {  336}
   (( segid "SF1 " and resid 28   and name HG1 ))
   (( segid "SF1 " and resid 28   and name HD2 ))
      3.200     1.300     1.300 peak   336 spectrum    1 weight  0.10000E+01 volume  0.15914E-02 ppm1      4.008 ppm2      2.251 CV     1
 ASSI {  337}
   (( segid "SF1 " and resid 28   and name HB1 ))
   (( segid "SF1 " and resid 28   and name HD2 ))
      4.000     2.000     2.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.93545E-03 ppm1      4.004 ppm2      2.397 CV     1
 ASSI {  338}
   (  segid "SF1 " and resid 43   and name HG2%)
   (( segid "SF1 " and resid 28   and name HD2 ))
      4.100     2.100     1.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.16655E-03 ppm1      4.002 ppm2      1.350 CV     1
 ASSI {  339}
   (  segid "SF1 " and resid 43   and name HG2%)
   (( segid "SF1 " and resid 28   and name HD1 ))
      3.100     1.200     1.200 peak   339 spectrum    1 weight  0.10000E+01 volume  0.57038E-03 ppm1      4.433 ppm2      1.334 CV     1
 ASSI {  342}
   (( segid "SF1 " and resid 28   and name HD2 ))
   (( segid "SF1 " and resid 28   and name HD1 ))
      2.500     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.12434E-02 ppm1      4.432 ppm2      4.004 CV     1
 ASSI {  343}
   (( segid "SF1 " and resid 72   and name HB2 ))
   (( segid "SF1 " and resid 72   and name HA  ))
      2.900     1.000     1.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.32912E-02 ppm1      4.944 ppm2      2.542 CV     1
 ASSI {  344}
   (( segid "SF1 " and resid 72   and name HB1 ))
   (( segid "SF1 " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.23957E-02 ppm1      4.944 ppm2      3.122 CV     1
 ASSI {  345}
   (( segid "SF1 " and resid 100  and name HB1 ))
   (( segid "SF1 " and resid 100  and name HA  ))
      2.700     0.900     0.900 peak   345 spectrum    1 weight  0.10000E+01 volume  0.36962E-02 ppm1      4.459 ppm2      2.966 CV     1
 ASSI {  346}
   (( segid "SF1 " and resid 100  and name HB2 ))
   (( segid "SF1 " and resid 100  and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.40498E-02 ppm1      4.459 ppm2      2.559 CV     1
 ASSI {  347}
   (( segid "SF1 " and resid 72   and name HN  ))
   (( segid "SF1 " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   347 spectrum    1 weight  0.10000E+01 volume  0.12891E-02 ppm1      4.948 ppm2      6.676 CV     1
 ASSI {  349}
   (( segid "SF1 " and resid 100  and name HN  ))
   (( segid "SF1 " and resid 100  and name HA  ))
      3.000     1.100     1.100 peak   349 spectrum    1 weight  0.10000E+01 volume  0.20192E-02 ppm1      4.462 ppm2      7.944 CV     1
 ASSI {  350}
   (( segid "SF1 " and resid 101  and name HN  ))
   (( segid "SF1 " and resid 100  and name HA  ))
      3.500     1.500     1.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.88411E-03 ppm1      4.464 ppm2      7.595 CV     1
 ASSI {  357}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (  segid "SF1 " and resid 29   and name HG1%)
      2.800     0.900     0.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.25212E-02 ppm1      0.994 ppm2      1.469 CV     1
 OR {  357}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (  segid "SF1 " and resid 29   and name HG1%)
 ASSI {  359}
   (( segid "SF1 " and resid 86   and name HD2 ))
   (  segid "SF1 " and resid 29   and name HG1%)
      3.500     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.14773E-02 ppm1      0.995 ppm2      1.744 CV     1
 ASSI {  360}
   (( segid "SF1 " and resid 28   and name HG1 ))
   (  segid "SF1 " and resid 29   and name HG1%)
      3.900     1.900     1.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.13290E-02 ppm1      0.996 ppm2      2.231 CV     1
 ASSI {  362}
   (( segid "SF1 " and resid 29   and name HB  ))
   (  segid "SF1 " and resid 29   and name HG1%)
      2.300     0.700     0.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.63884E-02 ppm1      0.992 ppm2      2.978 CV     1
 ASSI {  366}
   (( segid "SF1 " and resid 29   and name HN  ))
   (  segid "SF1 " and resid 29   and name HG1%)
      2.900     1.000     1.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.33882E-02 ppm1      0.995 ppm2      8.801 CV     1
 ASSI {  370}
   (( segid "SF1 " and resid 119  and name HB2 ))
   (  segid "SF1 " and resid 119  and name HD2%)
      2.800     1.000     1.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.75863E-02 ppm1      0.862 ppm2      1.605 CV     1
 ASSI {  371}
   (( segid "SF1 " and resid 119  and name HB1 ))
   (  segid "SF1 " and resid 119  and name HD2%)
      2.600     0.800     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.32855E-02 ppm1      0.863 ppm2      1.853 CV     1
 ASSI {  376}
   (( segid "SF1 " and resid 119  and name HN  ))
   (  segid "SF1 " and resid 119  and name HD2%)
      3.600     1.600     1.600 peak   376 spectrum    1 weight  0.10000E+01 volume  0.12035E-02 ppm1      0.863 ppm2      7.949 CV     1
 ASSI {  377}
   (( segid "SF1 " and resid 108  and name HG2 ))
   (( segid "SF1 " and resid 108  and name HG1 ))
      1.700     0.300     0.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.16884E-01 ppm1      1.079 ppm2      0.665 CV     1
 ASSI {  379}
   (( segid "SF1 " and resid 108  and name HD2 ))
   (( segid "SF1 " and resid 108  and name HG2 ))
      3.000     1.100     1.100 peak   379 spectrum    1 weight  0.10000E+01 volume  0.23329E-02 ppm1      0.673 ppm2      1.415 CV     1
 ASSI {  380}
   (( segid "SF1 " and resid 108  and name HD1 ))
   (( segid "SF1 " and resid 108  and name HG1 ))
      2.500     0.800     0.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.42266E-02 ppm1      1.083 ppm2      1.434 CV     1
 OR {  380}
   (( segid "SF1 " and resid 108  and name HD2 ))
   (( segid "SF1 " and resid 108  and name HG1 ))
 ASSI {  381}
   (( segid "SF1 " and resid 108  and name HB2 ))
   (( segid "SF1 " and resid 108  and name HG1 ))
      2.500     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.49682E-02 ppm1      1.084 ppm2      1.637 CV     1
 OR {  381}
   (( segid "SF1 " and resid 108  and name HB1 ))
   (( segid "SF1 " and resid 108  and name HG1 ))
 ASSI {  382}
   (( segid "SF1 " and resid 108  and name HB1 ))
   (( segid "SF1 " and resid 108  and name HG2 ))
      2.500     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.50934E-02 ppm1      0.673 ppm2      1.624 CV     1
 OR {  382}
   (( segid "SF1 " and resid 108  and name HB2 ))
   (( segid "SF1 " and resid 108  and name HG2 ))
 ASSI {  385}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 108  and name HG2 ))
      4.000     2.000     2.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.31657E-03 ppm1      0.684 ppm2      7.107 CV     1
 ASSI {  388}
   (( segid "SF1 " and resid 119  and name HA  ))
   (  segid "SF1 " and resid 119  and name HD2%)
      2.900     1.100     1.100 peak   388 spectrum    1 weight  0.10000E+01 volume  0.32456E-02 ppm1      0.863 ppm2      4.126 CV     1
 ASSI {  392}
   (( segid "SF1 " and resid 55   and name HA  ))
   (( segid "SF1 " and resid 58   and name HA  ))
      3.500     1.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      4.136 ppm2      3.356 CV     1
 ASSI {  393}
   (( segid "SF1 " and resid 58   and name HB1 ))
   (( segid "SF1 " and resid 58   and name HA  ))
      2.600     0.800     0.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.32456E-02 ppm1      4.132 ppm2      2.957 CV     1
 ASSI {  394}
   (( segid "SF1 " and resid 58   and name HB2 ))
   (( segid "SF1 " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.44548E-02 ppm1      4.134 ppm2      2.458 CV     1
 ASSI {  395}
   (( segid "SF1 " and resid 39   and name HN  ))
   (( segid "SF1 " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.20763E-02 ppm1      5.054 ppm2     -0.159 CV     1
 ASSI {  396}
   (( segid "SF1 " and resid 93   and name HB1 ))
   (( segid "SF1 " and resid 93   and name HA  ))
      2.600     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.29033E-02 ppm1      4.530 ppm2      1.744 CV     1
 ASSI {  397}
   (( segid "SF1 " and resid 61   and name HN  ))
   (( segid "SF1 " and resid 60   and name HA  ))
      2.300     0.600     0.600 peak   397 spectrum    1 weight  0.10000E+01 volume  0.71298E-02 ppm1      4.419 ppm2      8.431 CV     1
 ASSI {  398}
   (( segid "SF1 " and resid 60   and name HB1 ))
   (( segid "SF1 " and resid 60   and name HA  ))
      2.600     0.800     0.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.32114E-02 ppm1      4.416 ppm2      3.133 CV     1
 ASSI {  399}
   (( segid "SF1 " and resid 60   and name HB2 ))
   (( segid "SF1 " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak   399 spectrum    1 weight  0.10000E+01 volume  0.21390E-02 ppm1      4.416 ppm2      2.960 CV     1
 ASSI {  400}
   (( segid "SF1 " and resid 60   and name HN  ))
   (( segid "SF1 " and resid 60   and name HA  ))
      3.300     1.400     1.400 peak   400 spectrum    1 weight  0.10000E+01 volume  0.87269E-03 ppm1      4.422 ppm2      8.194 CV     1
 ASSI {  401}
   (( segid "SF1 " and resid 118  and name HN  ))
   (( segid "SF1 " and resid 118  and name HA  ))
      2.700     0.900     0.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.32798E-02 ppm1      4.159 ppm2      7.757 CV     1
 ASSI {  403}
   (( segid "SF1 " and resid 119  and name HN  ))
   (( segid "SF1 " and resid 118  and name HA  ))
      3.100     1.200     1.200 peak   403 spectrum    1 weight  0.10000E+01 volume  0.18481E-02 ppm1      4.159 ppm2      7.947 CV     1
 ASSI {  404}
   (  segid "SF1 " and resid 118  and name HB% )
   (( segid "SF1 " and resid 118  and name HA  ))
      2.100     0.500     0.500 peak   404 spectrum    1 weight  0.10000E+01 volume  0.16313E-01 ppm1      4.156 ppm2      1.450 CV     1
 ASSI {  405}
   (( segid "SF1 " and resid 121  and name HB1 ))
   (( segid "SF1 " and resid 118  and name HA  ))
      3.000     1.100     1.100 peak   405 spectrum    1 weight  0.10000E+01 volume  0.19793E-02 ppm1      4.156 ppm2      2.068 CV     1
 OR {  405}
   (( segid "SF1 " and resid 121  and name HB2 ))
   (( segid "SF1 " and resid 118  and name HA  ))
 ASSI {  406}
   (( segid "SF1 " and resid 121  and name HG2 ))
   (( segid "SF1 " and resid 118  and name HA  ))
      3.300     1.400     1.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.12434E-02 ppm1      4.162 ppm2      2.406 CV     1
 OR {  406}
   (( segid "SF1 " and resid 121  and name HG1 ))
   (( segid "SF1 " and resid 118  and name HA  ))
 ASSI {  408}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 33   and name HG2 ))
      3.200     1.300     1.300 peak   408 spectrum    1 weight  0.10000E+01 volume  0.14488E-02 ppm1      1.500 ppm2      0.713 CV     1
 OR {  408}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 33   and name HG1 ))
 ASSI {  414}
   (( segid "SF1 " and resid 34   and name HN  ))
   (( segid "SF1 " and resid 33   and name HG2 ))
      3.800     1.800     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.12834E-02 ppm1      1.502 ppm2      7.740 CV     1
 OR {  414}
   (( segid "SF1 " and resid 34   and name HN  ))
   (( segid "SF1 " and resid 33   and name HG1 ))
 ASSI {  416}
   (( segid "SF1 " and resid 124  and name HD1 ))
   (( segid "SF1 " and resid 124  and name HG2 ))
      1.400     0.300     0.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.12606E+00 ppm1      1.410 ppm2      1.639 CV     1
 OR {  416}
   (( segid "SF1 " and resid 124  and name HD2 ))
   (( segid "SF1 " and resid 124  and name HG1 ))
 OR {  416}
   (( segid "SF1 " and resid 124  and name HD2 ))
   (( segid "SF1 " and resid 124  and name HG2 ))
 OR {  416}
   (( segid "SF1 " and resid 124  and name HD1 ))
   (( segid "SF1 " and resid 124  and name HG1 ))
 ASSI {  417}
   (( segid "SF1 " and resid 124  and name HB1 ))
   (( segid "SF1 " and resid 124  and name HG2 ))
      2.200     0.600     0.600 peak   417 spectrum    1 weight  0.10000E+01 volume  0.10837E-01 ppm1      1.411 ppm2      1.819 CV     1
 OR {  417}
   (( segid "SF1 " and resid 124  and name HB1 ))
   (( segid "SF1 " and resid 124  and name HG1 ))
 ASSI {  421}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 59   and name HG2 ))
      4.500     2.600     1.500 peak   421 spectrum    1 weight  0.10000E+01 volume  0.80997E-03 ppm1      1.089 ppm2     -0.156 CV     1
 ASSI {  422}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (( segid "SF1 " and resid 59   and name HG1 ))
      1.600     0.300     0.600 peak   422 spectrum    1 weight  0.10000E+01 volume  0.13747E-01 ppm1      1.298 ppm2      1.078 CV     1
 OR {  422}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HG1 ))
 ASSI {  423}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 59   and name HG2 ))
      1.700     0.300     0.500 peak   423 spectrum    1 weight  0.10000E+01 volume  0.10381E-01 ppm1      1.090 ppm2      1.282 CV     1
 ASSI {  427}
   (  segid "SF1 " and resid 88   and name HD2%)
   (  segid "SF1 " and resid 94   and name HD2%)
      2.500     0.800     0.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.48883E-02 ppm1      0.939 ppm2      0.607 CV     1
 ASSI {  428}
   (( segid "SF1 " and resid 94   and name HB2 ))
   (  segid "SF1 " and resid 94   and name HD2%)
      2.500     0.800     0.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.81566E-02 ppm1      0.940 ppm2      1.549 CV     1
 ASSI {  430}
   (( segid "SF1 " and resid 51   and name HZ  ))
   (  segid "SF1 " and resid 94   and name HD2%)
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.23044E-02 ppm1      0.942 ppm2      6.700 CV     1
 ASSI {  431}
   (( segid "SF1 " and resid 84   and name HZ  ))
   (  segid "SF1 " and resid 94   and name HD2%)
      2.700     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.37988E-02 ppm1      0.941 ppm2      6.900 CV     1
 ASSI {  432}
   (  segid "SF1 " and resid 84   and name HE% )
   (  segid "SF1 " and resid 94   and name HD2%)
      3.200     1.200     1.200 peak   432 spectrum    1 weight  0.10000E+01 volume  0.20135E-02 ppm1      0.940 ppm2      7.034 CV     1
 ASSI {  433}
   (( segid "SF1 " and resid 59   and name HD2 ))
   (( segid "SF1 " and resid 59   and name HG2 ))
      2.700     0.900     0.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.25041E-02 ppm1      1.088 ppm2      1.566 CV     1
 OR {  433}
   (( segid "SF1 " and resid 59   and name HD1 ))
   (( segid "SF1 " and resid 59   and name HG2 ))
 ASSI {  434}
   (( segid "SF1 " and resid 57   and name HB2 ))
   (( segid "SF1 " and resid 59   and name HG2 ))
      4.100     2.100     1.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.11237E-02 ppm1      1.090 ppm2      2.392 CV     1
 ASSI {  435}
   (( segid "SF1 " and resid 57   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HG2 ))
      3.400     1.500     1.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.13860E-02 ppm1      1.085 ppm2      2.816 CV     1
 ASSI {  436}
   (( segid "SF1 " and resid 59   and name HE1 ))
   (( segid "SF1 " and resid 59   and name HG2 ))
      3.000     1.100     1.100 peak   436 spectrum    1 weight  0.10000E+01 volume  0.14945E-02 ppm1      1.088 ppm2      2.910 CV     1
 OR {  436}
   (( segid "SF1 " and resid 59   and name HE2 ))
   (( segid "SF1 " and resid 59   and name HG2 ))
 ASSI {  437}
   (( segid "SF1 " and resid 54   and name HA  ))
   (( segid "SF1 " and resid 59   and name HG2 ))
      4.200     2.200     1.800 peak   437 spectrum    1 weight  0.10000E+01 volume  0.95826E-03 ppm1      1.090 ppm2      3.141 CV     1
 ASSI {  438}
   (( segid "SF1 " and resid 59   and name HA  ))
   (( segid "SF1 " and resid 59   and name HG2 ))
      3.100     1.200     1.200 peak   438 spectrum    1 weight  0.10000E+01 volume  0.87843E-03 ppm1      1.090 ppm2      3.739 CV     1
 ASSI {  439}
   (( segid "SF1 " and resid 57   and name HN  ))
   (( segid "SF1 " and resid 59   and name HG2 ))
      5.800     4.200     0.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.32570E-03 ppm1      1.087 ppm2      6.781 CV     1
 ASSI {  440}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 59   and name HG2 ))
      3.400     1.400     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.26181E-02 ppm1      1.092 ppm2      7.712 CV     1
 ASSI {  442}
   (( segid "SF1 " and resid 94   and name HN  ))
   (  segid "SF1 " and resid 94   and name HD2%)
      3.700     1.700     1.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      0.942 ppm2      8.826 CV     1
 ASSI {  443}
   (( segid "SF1 " and resid 119  and name HN  ))
   (  segid "SF1 " and resid 119  and name HD1%)
      4.300     2.300     1.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.74721E-03 ppm1      0.906 ppm2      7.938 CV     1
 ASSI {  446}
   (( segid "SF1 " and resid 70   and name HN  ))
   (( segid "SF1 " and resid 70   and name HG2 ))
      3.700     1.700     1.700 peak   446 spectrum    1 weight  0.10000E+01 volume  0.87843E-03 ppm1      1.181 ppm2      8.318 CV     1
 ASSI {  448}
   (( segid "SF1 " and resid 70   and name HN  ))
   (( segid "SF1 " and resid 70   and name HG1 ))
      3.100     1.200     1.200 peak   448 spectrum    1 weight  0.10000E+01 volume  0.13747E-02 ppm1      1.350 ppm2      8.308 CV     1
 ASSI {  450}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 114  and name HG2 ))
      3.100     1.200     1.200 peak   450 spectrum    1 weight  0.10000E+01 volume  0.23500E-02 ppm1      1.351 ppm2      7.775 CV     1
 ASSI {  451}
   (( segid "SF1 " and resid 73   and name HN  ))
   (( segid "SF1 " and resid 73   and name HG1 ))
      3.000     1.200     1.200 peak   451 spectrum    1 weight  0.10000E+01 volume  0.17340E-02 ppm1      1.372 ppm2      8.207 CV     1
 OR {  451}
   (( segid "SF1 " and resid 73   and name HN  ))
   (( segid "SF1 " and resid 73   and name HG2 ))
 ASSI {  454}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 114  and name HG1 ))
      2.700     0.900     0.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.19622E-02 ppm1      1.500 ppm2      7.776 CV     1
 ASSI {  455}
   (( segid "SF1 " and resid 74   and name HN  ))
   (( segid "SF1 " and resid 73   and name HG1 ))
      3.500     1.500     1.500 peak   455 spectrum    1 weight  0.10000E+01 volume  0.12834E-02 ppm1      1.378 ppm2      7.884 CV     1
 OR {  455}
   (( segid "SF1 " and resid 74   and name HN  ))
   (( segid "SF1 " and resid 73   and name HG2 ))
 ASSI {  457}
   (  segid "SF1 " and resid 99   and name HB% )
   (( segid "SF1 " and resid 99   and name HA  ))
      2.100     0.500     0.500 peak   457 spectrum    1 weight  0.10000E+01 volume  0.17226E-01 ppm1      4.145 ppm2      1.471 CV     1
 ASSI {  459}
   (( segid "SF1 " and resid 106  and name HG1 ))
   (( segid "SF1 " and resid 106  and name HA  ))
      3.100     1.200     1.200 peak   459 spectrum    1 weight  0.10000E+01 volume  0.13233E-02 ppm1      4.289 ppm2      1.841 CV     1
 OR {  459}
   (( segid "SF1 " and resid 106  and name HG2 ))
   (( segid "SF1 " and resid 106  and name HA  ))
 ASSI {  460}
   (( segid "SF1 " and resid 106  and name HB1 ))
   (( segid "SF1 " and resid 106  and name HA  ))
      3.100     1.200     1.200 peak   460 spectrum    1 weight  0.10000E+01 volume  0.13062E-02 ppm1      4.283 ppm2      1.987 CV     1
 OR {  460}
   (( segid "SF1 " and resid 106  and name HB2 ))
   (( segid "SF1 " and resid 106  and name HA  ))
 ASSI {  461}
   (( segid "SF1 " and resid 106  and name HD1 ))
   (( segid "SF1 " and resid 106  and name HA  ))
      4.200     2.200     1.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.65026E-03 ppm1      4.278 ppm2      3.365 CV     1
 ASSI {  463}
   (( segid "SF1 " and resid 106  and name HD2 ))
   (( segid "SF1 " and resid 106  and name HA  ))
      4.700     2.800     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.36619E-03 ppm1      4.302 ppm2      3.244 CV     1
 ASSI {  464}
   (( segid "SF1 " and resid 103  and name HB1 ))
   (( segid "SF1 " and resid 103  and name HA  ))
      2.700     0.900     0.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.20078E-02 ppm1      4.450 ppm2      1.746 CV     1
 ASSI {  465}
   (( segid "SF1 " and resid 103  and name HB2 ))
   (( segid "SF1 " and resid 103  and name HA  ))
      2.800     1.000     1.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.33083E-02 ppm1      4.458 ppm2      1.630 CV     1
 ASSI {  466}
   (( segid "SF1 " and resid 24   and name HB1 ))
   (( segid "SF1 " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   466 spectrum    1 weight  0.10000E+01 volume  0.61604E-02 ppm1      4.556 ppm2      2.622 CV     1
 ASSI {  470}
   (( segid "SF1 " and resid 99   and name HN  ))
   (( segid "SF1 " and resid 99   and name HA  ))
      3.300     1.400     1.400 peak   470 spectrum    1 weight  0.10000E+01 volume  0.96399E-03 ppm1      4.139 ppm2      9.264 CV     1
 ASSI {  474}
   (  segid "SF1 " and resid 13   and name HD2%)
   (( segid "SF1 " and resid 13   and name HA  ))
      3.400     1.400     1.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.13176E-02 ppm1      4.293 ppm2      0.802 CV     1
 ASSI {  482}
   (( segid "SF1 " and resid 42   and name HB1 ))
   (( segid "SF1 " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.17568E-02 ppm1      4.417 ppm2      1.684 CV     1
 ASSI {  483}
   (( segid "SF1 " and resid 42   and name HB2 ))
   (( segid "SF1 " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.86700E-03 ppm1      4.419 ppm2      0.888 CV     1
 ASSI {  484}
   (  segid "SF1 " and resid 42   and name HD1%)
   (( segid "SF1 " and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   484 spectrum    1 weight  0.10000E+01 volume  0.10781E-02 ppm1      4.410 ppm2      0.601 CV     1
 ASSI {  490}
   (( segid "SF1 " and resid 17   and name HD21))
   (( segid "SF1 " and resid 18   and name HA  ))
      4.100     2.100     1.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.29546E-03 ppm1      4.220 ppm2      7.504 CV     1
 ASSI {  492}
   (( segid "SF1 " and resid 61   and name HN  ))
   (( segid "SF1 " and resid 61   and name HA  ))
      3.000     1.100     1.100 peak   492 spectrum    1 weight  0.10000E+01 volume  0.16542E-02 ppm1      5.185 ppm2      8.429 CV     1
 ASSI {  493}
   (  segid "SF1 " and resid 61   and name HD% )
   (( segid "SF1 " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.37646E-02 ppm1      5.185 ppm2      7.083 CV     1
 ASSI {  495}
   (( segid "SF1 " and resid 61   and name HB1 ))
   (( segid "SF1 " and resid 61   and name HA  ))
      2.900     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      5.189 ppm2      3.585 CV     1
 ASSI {  496}
   (( segid "SF1 " and resid 61   and name HB2 ))
   (( segid "SF1 " and resid 61   and name HA  ))
      3.500     1.500     1.500 peak   496 spectrum    1 weight  0.10000E+01 volume  0.10381E-02 ppm1      5.196 ppm2      2.700 CV     1
 ASSI {  497}
   (  segid "SF1 " and resid 42   and name HD2%)
   (( segid "SF1 " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.28178E-02 ppm1      4.419 ppm2     -0.288 CV     1
 ASSI {  498}
   (( segid "SF1 " and resid 70   and name HG1 ))
   (( segid "SF1 " and resid 70   and name HG2 ))
      1.600     0.300     0.600 peak   498 spectrum    1 weight  0.10000E+01 volume  0.24641E-01 ppm1      1.180 ppm2      1.340 CV     1
 ASSI {  499}
   (( segid "SF1 " and resid 70   and name HD1 ))
   (( segid "SF1 " and resid 70   and name HG2 ))
      2.000     0.500     0.500 peak   499 spectrum    1 weight  0.10000E+01 volume  0.17283E-01 ppm1      1.179 ppm2      1.591 CV     1
 OR {  499}
   (( segid "SF1 " and resid 70   and name HD2 ))
   (( segid "SF1 " and resid 70   and name HG2 ))
 ASSI {  503}
   (( segid "SF1 " and resid 114  and name HD2 ))
   (( segid "SF1 " and resid 114  and name HG1 ))
      1.700     0.400     0.500 peak   503 spectrum    1 weight  0.10000E+01 volume  0.39471E-01 ppm1      1.501 ppm2      1.614 CV     1
 OR {  503}
   (( segid "SF1 " and resid 114  and name HD1 ))
   (( segid "SF1 " and resid 114  and name HG1 ))
 ASSI {  505}
   (( segid "SF1 " and resid 73   and name HD1 ))
   (( segid "SF1 " and resid 73   and name HG1 ))
      1.500     0.300     0.700 peak   505 spectrum    1 weight  0.10000E+01 volume  0.87269E-01 ppm1      1.360 ppm2      1.587 CV     1
 OR {  505}
   (( segid "SF1 " and resid 73   and name HD2 ))
   (( segid "SF1 " and resid 73   and name HG2 ))
 OR {  505}
   (( segid "SF1 " and resid 73   and name HD1 ))
   (( segid "SF1 " and resid 73   and name HG2 ))
 OR {  505}
   (( segid "SF1 " and resid 73   and name HD2 ))
   (( segid "SF1 " and resid 73   and name HG1 ))
 ASSI {  506}
   (( segid "SF1 " and resid 114  and name HB2 ))
   (( segid "SF1 " and resid 114  and name HG1 ))
      2.000     0.500     0.500 peak   506 spectrum    1 weight  0.10000E+01 volume  0.15230E-01 ppm1      1.498 ppm2      1.794 CV     1
 OR {  506}
   (( segid "SF1 " and resid 114  and name HB1 ))
   (( segid "SF1 " and resid 114  and name HG1 ))
 ASSI {  507}
   (( segid "SF1 " and resid 114  and name HG2 ))
   (( segid "SF1 " and resid 114  and name HG1 ))
      1.600     0.300     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.17112E-01 ppm1      1.501 ppm2      1.332 CV     1
 ASSI {  509}
   (( segid "SF1 " and resid 114  and name HE2 ))
   (( segid "SF1 " and resid 114  and name HG1 ))
      3.100     1.200     1.200 peak   509 spectrum    1 weight  0.10000E+01 volume  0.18025E-02 ppm1      1.503 ppm2      2.916 CV     1
 OR {  509}
   (( segid "SF1 " and resid 114  and name HE1 ))
   (( segid "SF1 " and resid 114  and name HG1 ))
 ASSI {  512}
   (( segid "SF1 " and resid 57   and name HB2 ))
   (( segid "SF1 " and resid 59   and name HG1 ))
      2.400     0.700     0.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.15002E-02 ppm1      1.299 ppm2      2.382 CV     1
 ASSI {  514}
   (( segid "SF1 " and resid 119  and name HA  ))
   (  segid "SF1 " and resid 119  and name HD1%)
      3.700     1.700     1.700 peak   514 spectrum    1 weight  0.10000E+01 volume  0.13119E-02 ppm1      0.920 ppm2      4.132 CV     1
 ASSI {  518}
   (( segid "SF1 " and resid 70   and name HA  ))
   (( segid "SF1 " and resid 70   and name HG1 ))
      3.000     1.100     1.100 peak   518 spectrum    1 weight  0.10000E+01 volume  0.18367E-02 ppm1      1.351 ppm2      4.028 CV     1
 ASSI {  519}
   (( segid "SF1 " and resid 59   and name HE2 ))
   (( segid "SF1 " and resid 59   and name HG1 ))
      2.800     1.000     1.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.28235E-02 ppm1      1.300 ppm2      2.907 CV     1
 OR {  519}
   (( segid "SF1 " and resid 59   and name HE1 ))
   (( segid "SF1 " and resid 59   and name HG1 ))
 ASSI {  523}
   (( segid "SF1 " and resid 88   and name HG  ))
   (  segid "SF1 " and resid 88   and name HD2%)
      2.100     0.500     0.500 peak   523 spectrum    1 weight  0.10000E+01 volume  0.12206E-01 ppm1      0.584 ppm2      1.156 CV     1
 ASSI {  524}
   (( segid "SF1 " and resid 88   and name HB2 ))
   (  segid "SF1 " and resid 88   and name HD2%)
      2.700     0.900     0.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.47971E-02 ppm1      0.583 ppm2      1.330 CV     1
 ASSI {  525}
   (( segid "SF1 " and resid 88   and name HB1 ))
   (  segid "SF1 " and resid 88   and name HD2%)
      2.300     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.71298E-02 ppm1      0.584 ppm2      1.795 CV     1
 ASSI {  526}
   (  segid "SF1 " and resid 43   and name HG2%)
   (  segid "SF1 " and resid 41   and name HD2%)
      2.600     0.900     0.900 peak   526 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      0.704 ppm2      1.335 CV     1
 ASSI {  527}
   (( segid "SF1 " and resid 41   and name HB2 ))
   (  segid "SF1 " and resid 41   and name HD2%)
      3.500     1.500     1.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.16884E-02 ppm1      0.701 ppm2      1.592 CV     1
 ASSI {  528}
   (( segid "SF1 " and resid 41   and name HB1 ))
   (  segid "SF1 " and resid 41   and name HD2%)
      2.700     0.900     0.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.27322E-02 ppm1      0.702 ppm2      1.739 CV     1
 ASSI {  530}
   (( segid "SF1 " and resid 41   and name HN  ))
   (  segid "SF1 " and resid 41   and name HD2%)
      3.200     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.12434E-02 ppm1      0.703 ppm2      7.636 CV     1
 ASSI {  532}
   (( segid "SF1 " and resid 42   and name HN  ))
   (  segid "SF1 " and resid 41   and name HD2%)
      4.400     2.500     1.600 peak   532 spectrum    1 weight  0.10000E+01 volume  0.27721E-03 ppm1      0.705 ppm2      8.147 CV     1
 ASSI {  533}
   (  segid "SF1 " and resid 90   and name HG1%)
   (  segid "SF1 " and resid 41   and name HD2%)
      3.100     1.200     1.200 peak   533 spectrum    1 weight  0.10000E+01 volume  0.19907E-02 ppm1      0.703 ppm2      0.903 CV     1
 OR {  533}
   (  segid "SF1 " and resid 90   and name HG2%)
   (  segid "SF1 " and resid 41   and name HD2%)
 ASSI {  534}
   (  segid "SF1 " and resid 89   and name HG2%)
   (  segid "SF1 " and resid 41   and name HD2%)
      4.000     2.000     2.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.57038E-03 ppm1      0.705 ppm2      1.209 CV     1
 ASSI {  537}
   (  segid "SF1 " and resid 55   and name HG2%)
   (  segid "SF1 " and resid 88   and name HD2%)
      3.400     1.400     1.400 peak   537 spectrum    1 weight  0.10000E+01 volume  0.17910E-02 ppm1      0.583 ppm2      0.248 CV     1
 ASSI {  538}
   (( segid "SF1 " and resid 42   and name HB2 ))
   (  segid "SF1 " and resid 42   and name HD1%)
      2.500     0.800     0.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.69018E-02 ppm1      0.604 ppm2      0.872 CV     1
 ASSI {  539}
   (( segid "SF1 " and resid 42   and name HG  ))
   (  segid "SF1 " and resid 42   and name HD1%)
      2.100     0.500     0.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.13119E-01 ppm1      0.605 ppm2      1.094 CV     1
 ASSI {  540}
   (( segid "SF1 " and resid 42   and name HB1 ))
   (  segid "SF1 " and resid 42   and name HD1%)
      2.400     0.700     0.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.77006E-02 ppm1      0.608 ppm2      1.700 CV     1
 ASSI {  542}
   (( segid "SF1 " and resid 25   and name HG2 ))
   (  segid "SF1 " and resid 42   and name HD1%)
      3.500     1.500     1.500 peak   542 spectrum    1 weight  0.10000E+01 volume  0.10552E-02 ppm1      0.607 ppm2      2.188 CV     1
 OR {  542}
   (( segid "SF1 " and resid 25   and name HG1 ))
   (  segid "SF1 " and resid 42   and name HD1%)
 ASSI {  544}
   (( segid "SF1 " and resid 41   and name HG  ))
   (  segid "SF1 " and resid 42   and name HD1%)
      3.600     1.600     1.600 peak   544 spectrum    1 weight  0.10000E+01 volume  0.95826E-03 ppm1      0.626 ppm2      1.404 CV     1
 ASSI {  548}
   (  segid "SF1 " and resid 84   and name HE% )
   (  segid "SF1 " and resid 88   and name HD2%)
      3.300     1.400     1.400 peak   548 spectrum    1 weight  0.10000E+01 volume  0.12492E-02 ppm1      0.581 ppm2      7.036 CV     1
 ASSI {  551}
   (( segid "SF1 " and resid 91   and name HN  ))
   (  segid "SF1 " and resid 88   and name HD2%)
      4.100     2.100     1.900 peak   551 spectrum    1 weight  0.10000E+01 volume  0.43065E-03 ppm1      0.583 ppm2      7.176 CV     1
 ASSI {  555}
   (  segid "SF1 " and resid 88   and name HD2%)
   (  segid "SF1 " and resid 94   and name HD1%)
      2.900     1.000     1.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.22987E-02 ppm1      1.010 ppm2      0.577 CV     1
 ASSI {  557}
   (( segid "SF1 " and resid 94   and name HB1 ))
   (  segid "SF1 " and resid 94   and name HD1%)
      2.500     0.800     0.800 peak   557 spectrum    1 weight  0.10000E+01 volume  0.95826E-02 ppm1      1.007 ppm2      1.818 CV     1
 ASSI {  559}
   (( segid "SF1 " and resid 86   and name HD2 ))
   (( segid "SF1 " and resid 71   and name HG12))
      3.000     1.100     1.100 peak   559 spectrum    1 weight  0.10000E+01 volume  0.39414E-02 ppm1      0.911 ppm2      1.744 CV     1
 ASSI {  560}
   (( segid "SF1 " and resid 77   and name HD2 ))
   (( segid "SF1 " and resid 77   and name HG2 ))
      2.700     0.900     0.900 peak   560 spectrum    1 weight  0.10000E+01 volume  0.38216E-02 ppm1      1.261 ppm2      1.639 CV     1
 OR {  560}
   (( segid "SF1 " and resid 77   and name HB2 ))
   (( segid "SF1 " and resid 77   and name HG2 ))
 ASSI {  561}
   (( segid "SF1 " and resid 77   and name HD1 ))
   (( segid "SF1 " and resid 77   and name HG2 ))
      2.400     0.700     0.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.55271E-02 ppm1      1.260 ppm2      1.751 CV     1
 ASSI {  565}
   (( segid "SF1 " and resid 71   and name HN  ))
   (( segid "SF1 " and resid 71   and name HG11))
      4.400     2.400     1.600 peak   565 spectrum    1 weight  0.10000E+01 volume  0.83846E-03 ppm1      1.594 ppm2      8.398 CV     1
 ASSI {  567}
   (( segid "SF1 " and resid 120  and name HA  ))
   (( segid "SF1 " and resid 120  and name HG1 ))
      3.400     1.400     1.400 peak   567 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      1.558 ppm2      4.114 CV     1
 ASSI {  569}
   (( segid "SF1 " and resid 120  and name HE1 ))
   (( segid "SF1 " and resid 120  and name HG2 ))
      2.900     1.100     1.100 peak   569 spectrum    1 weight  0.10000E+01 volume  0.27607E-02 ppm1      1.440 ppm2      2.965 CV     1
 OR {  569}
   (( segid "SF1 " and resid 120  and name HE2 ))
   (( segid "SF1 " and resid 120  and name HG2 ))
 ASSI {  570}
   (( segid "SF1 " and resid 120  and name HE2 ))
   (( segid "SF1 " and resid 120  and name HG1 ))
      3.200     1.300     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.16199E-02 ppm1      1.564 ppm2      2.957 CV     1
 OR {  570}
   (( segid "SF1 " and resid 120  and name HE1 ))
   (( segid "SF1 " and resid 120  and name HG1 ))
 ASSI {  573}
   (( segid "SF1 " and resid 120  and name HG2 ))
   (( segid "SF1 " and resid 120  and name HG1 ))
      1.500     0.300     0.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.29318E-01 ppm1      1.562 ppm2      1.432 CV     1
 ASSI {  574}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 120  and name HG1 ))
      2.300     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.69587E-02 ppm1      1.563 ppm2      1.864 CV     1
 OR {  574}
   (( segid "SF1 " and resid 120  and name HB1 ))
   (( segid "SF1 " and resid 120  and name HG1 ))
 ASSI {  575}
   (( segid "SF1 " and resid 120  and name HB1 ))
   (( segid "SF1 " and resid 120  and name HG2 ))
      2.100     0.500     0.500 peak   575 spectrum    1 weight  0.10000E+01 volume  0.12834E-01 ppm1      1.440 ppm2      1.860 CV     1
 OR {  575}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 120  and name HG2 ))
 ASSI {  577}
   (  segid "SF1 " and resid 71   and name HG2%)
   (( segid "SF1 " and resid 71   and name HG12))
      3.600     1.600     1.600 peak   577 spectrum    1 weight  0.10000E+01 volume  0.20477E-02 ppm1      0.866 ppm2      0.505 CV     1
 ASSI {  580}
   (  segid "SF1 " and resid 55   and name HG2%)
   (  segid "SF1 " and resid 94   and name HD1%)
      3.500     1.600     1.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.81566E-03 ppm1      1.007 ppm2      0.251 CV     1
 ASSI {  582}
   (( segid "SF1 " and resid 71   and name HB  ))
   (( segid "SF1 " and resid 71   and name HG11))
      2.600     0.800     0.800 peak   582 spectrum    1 weight  0.10000E+01 volume  0.28292E-02 ppm1      1.596 ppm2      1.997 CV     1
 ASSI {  584}
   (( segid "SF1 " and resid 71   and name HG11))
   (( segid "SF1 " and resid 71   and name HG12))
      1.700     0.400     0.500 peak   584 spectrum    1 weight  0.10000E+01 volume  0.11123E-01 ppm1      0.878 ppm2      1.584 CV     1
 ASSI {  586}
   (( segid "SF1 " and resid 93   and name HD1 ))
   (( segid "SF1 " and resid 93   and name HG1 ))
      3.200     1.200     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.14089E-02 ppm1      1.827 ppm2      3.002 CV     1
 ASSI {  589}
   (( segid "SF1 " and resid 120  and name HE2 ))
   (  segid "SF1 " and resid 42   and name HD1%)
      3.100     1.200     1.200 peak   589 spectrum    1 weight  0.10000E+01 volume  0.56241E-03 ppm1      0.606 ppm2      2.960 CV     1
 OR {  589}
   (( segid "SF1 " and resid 120  and name HE1 ))
   (  segid "SF1 " and resid 42   and name HD1%)
 ASSI {  592}
   (( segid "SF1 " and resid 84   and name HZ  ))
   (  segid "SF1 " and resid 94   and name HD1%)
      3.800     1.800     1.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.46658E-03 ppm1      1.002 ppm2      6.893 CV     1
 ASSI {  594}
   (( segid "SF1 " and resid 76   and name HE  ))
   (( segid "SF1 " and resid 76   and name HG2 ))
      3.300     1.300     1.300 peak   594 spectrum    1 weight  0.10000E+01 volume  0.80428E-03 ppm1      1.152 ppm2      7.723 CV     1
 ASSI {  595}
   (( segid "SF1 " and resid 93   and name HN  ))
   (( segid "SF1 " and resid 93   and name HG2 ))
      3.500     1.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.68449E-03 ppm1      1.458 ppm2      8.766 CV     1
 ASSI {  596}
   (( segid "SF1 " and resid 93   and name HN  ))
   (( segid "SF1 " and resid 93   and name HG1 ))
      3.800     1.800     1.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.10267E-02 ppm1      1.817 ppm2      8.760 CV     1
 ASSI {  599}
   (( segid "SF1 " and resid 76   and name HN  ))
   (( segid "SF1 " and resid 76   and name HG2 ))
      3.200     1.200     1.200 peak   599 spectrum    1 weight  0.10000E+01 volume  0.51508E-03 ppm1      1.148 ppm2      7.945 CV     1
 ASSI {  601}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 42   and name HG  ))
      3.400     1.500     1.500 peak   601 spectrum    1 weight  0.10000E+01 volume  0.10096E-02 ppm1      1.114 ppm2      6.717 CV     1
 OR {  601}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 42   and name HG  ))
 ASSI {  602}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 93   and name HG1 ))
      3.700     1.700     1.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.42609E-03 ppm1      1.836 ppm2      7.153 CV     1
 OR {  602}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 93   and name HG1 ))
 ASSI {  603}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 93   and name HG2 ))
      4.400     2.400     1.600 peak   603 spectrum    1 weight  0.10000E+01 volume  0.32912E-03 ppm1      1.459 ppm2      7.156 CV     1
 OR {  603}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 93   and name HG2 ))
 ASSI {  604}
   (( segid "SF1 " and resid 93   and name HD2 ))
   (( segid "SF1 " and resid 93   and name HG2 ))
      3.100     1.200     1.200 peak   604 spectrum    1 weight  0.10000E+01 volume  0.14945E-02 ppm1      1.463 ppm2      2.848 CV     1
 ASSI {  608}
   (( segid "SF1 " and resid 88   and name HB2 ))
   (  segid "SF1 " and resid 94   and name HD1%)
      4.000     2.000     2.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.12720E-02 ppm1      1.009 ppm2      1.371 CV     1
 ASSI {  611}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 76   and name HG1 ))
      3.300     1.400     1.400 peak   611 spectrum    1 weight  0.10000E+01 volume  0.67306E-03 ppm1      1.690 ppm2      7.533 CV     1
 ASSI {  612}
   (( segid "SF1 " and resid 76   and name HE  ))
   (( segid "SF1 " and resid 76   and name HG1 ))
      3.300     1.300     1.300 peak   612 spectrum    1 weight  0.10000E+01 volume  0.71872E-03 ppm1      1.700 ppm2      7.728 CV     1
 ASSI {  613}
   (( segid "SF1 " and resid 76   and name HN  ))
   (( segid "SF1 " and resid 76   and name HG1 ))
      3.600     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.13689E-02 ppm1      1.691 ppm2      7.958 CV     1
 ASSI {  621}
   (( segid "SF1 " and resid 93   and name HG2 ))
   (( segid "SF1 " and resid 93   and name HG1 ))
      1.800     0.400     0.400 peak   621 spectrum    1 weight  0.10000E+01 volume  0.12263E-01 ppm1      1.827 ppm2      1.455 CV     1
 OR {  621}
   (( segid "SF1 " and resid 93   and name HB2 ))
   (( segid "SF1 " and resid 93   and name HG1 ))
 ASSI {  622}
   (( segid "SF1 " and resid 76   and name HG2 ))
   (( segid "SF1 " and resid 76   and name HG1 ))
      2.100     0.500     0.500 peak   622 spectrum    1 weight  0.10000E+01 volume  0.32227E-02 ppm1      1.696 ppm2      1.150 CV     1
 ASSI {  627}
   (( segid "SF1 " and resid 67   and name HG1 ))
   (( segid "SF1 " and resid 67   and name HB1 ))
      3.100     1.200     1.200 peak   627 spectrum    1 weight  0.10000E+01 volume  0.27379E-02 ppm1      2.411 ppm2      2.124 CV     1
 ASSI {  628}
   (( segid "SF1 " and resid 67   and name HG2 ))
   (( segid "SF1 " and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.16884E-02 ppm1      2.408 ppm2      1.880 CV     1
 ASSI {  630}
   (( segid "SF1 " and resid 67   and name HA  ))
   (( segid "SF1 " and resid 67   and name HB1 ))
      3.600     1.600     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.43921E-03 ppm1      2.406 ppm2      4.120 CV     1
 ASSI {  631}
   (  segid "SF1 " and resid 81   and name HE% )
   (( segid "SF1 " and resid 67   and name HB1 ))
      3.200     1.300     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.87269E-03 ppm1      2.416 ppm2      7.371 CV     1
 ASSI {  632}
   (( segid "SF1 " and resid 68   and name HN  ))
   (( segid "SF1 " and resid 67   and name HB2 ))
      4.300     2.300     1.700 peak   632 spectrum    1 weight  0.10000E+01 volume  0.23101E-03 ppm1      2.359 ppm2      8.601 CV     1
 ASSI {  633}
   (  segid "SF1 " and resid 81   and name HE% )
   (( segid "SF1 " and resid 67   and name HB2 ))
      4.200     2.200     1.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      2.367 ppm2      7.383 CV     1
 ASSI {  635}
   (( segid "SF1 " and resid 67   and name HN  ))
   (( segid "SF1 " and resid 67   and name HB2 ))
      4.200     2.200     1.800 peak   635 spectrum    1 weight  0.10000E+01 volume  0.23044E-03 ppm1      2.369 ppm2      9.312 CV     1
 ASSI {  636}
   (( segid "SF1 " and resid 67   and name HA  ))
   (( segid "SF1 " and resid 67   and name HB2 ))
      4.000     2.000     2.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.46430E-03 ppm1      2.361 ppm2      4.106 CV     1
 ASSI {  637}
   (( segid "SF1 " and resid 67   and name HG2 ))
   (( segid "SF1 " and resid 67   and name HB2 ))
      3.300     1.400     1.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.17511E-02 ppm1      2.364 ppm2      1.876 CV     1
 ASSI {  638}
   (( segid "SF1 " and resid 67   and name HG1 ))
   (( segid "SF1 " and resid 67   and name HB2 ))
      2.500     0.800     0.800 peak   638 spectrum    1 weight  0.10000E+01 volume  0.38216E-02 ppm1      2.365 ppm2      2.126 CV     1
 ASSI {  641}
   (( segid "SF1 " and resid 86   and name HD1 ))
   (( segid "SF1 " and resid 86   and name HG2 ))
      2.100     0.600     0.600 peak   641 spectrum    1 weight  0.10000E+01 volume  0.99248E-02 ppm1      1.472 ppm2      1.834 CV     1
 OR {  641}
   (( segid "SF1 " and resid 86   and name HB2 ))
   (( segid "SF1 " and resid 86   and name HG2 ))
 OR {  641}
   (( segid "SF1 " and resid 86   and name HD1 ))
   (( segid "SF1 " and resid 86   and name HG1 ))
 OR {  641}
   (( segid "SF1 " and resid 86   and name HB2 ))
   (( segid "SF1 " and resid 86   and name HG1 ))
 ASSI {  645}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 26   and name HG  ))
      2.400     0.700     0.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.53331E-02 ppm1      1.568 ppm2      0.710 CV     1
 ASSI {  647}
   (( segid "SF1 " and resid 98   and name HG1 ))
   (( segid "SF1 " and resid 98   and name HG2 ))
      2.100     0.500     0.500 peak   647 spectrum    1 weight  0.10000E+01 volume  0.56927E-02 ppm1      1.847 ppm2      2.163 CV     1
 OR {  647}
   (( segid "SF1 " and resid 98   and name HB1 ))
   (( segid "SF1 " and resid 98   and name HG2 ))
 ASSI {  656}
   (( segid "SF1 " and resid 124  and name HG1 ))
   (( segid "SF1 " and resid 124  and name HA  ))
      2.700     0.900     0.900 peak   656 spectrum    1 weight  0.10000E+01 volume  0.35251E-02 ppm1      4.271 ppm2      1.408 CV     1
 OR {  656}
   (( segid "SF1 " and resid 124  and name HG2 ))
   (( segid "SF1 " and resid 124  and name HA  ))
 ASSI {  659}
   (( segid "SF1 " and resid 78   and name HG1 ))
   (( segid "SF1 " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak   659 spectrum    1 weight  0.10000E+01 volume  0.25041E-02 ppm1      4.434 ppm2      1.694 CV     1
 OR {  659}
   (( segid "SF1 " and resid 78   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HA  ))
 ASSI {  660}
   (( segid "SF1 " and resid 78   and name HB1 ))
   (( segid "SF1 " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   660 spectrum    1 weight  0.10000E+01 volume  0.16142E-02 ppm1      4.433 ppm2      1.904 CV     1
 OR {  660}
   (( segid "SF1 " and resid 78   and name HB2 ))
   (( segid "SF1 " and resid 75   and name HA  ))
 ASSI {  661}
   (( segid "SF1 " and resid 75   and name HB2 ))
   (( segid "SF1 " and resid 75   and name HA  ))
      2.900     1.100     1.100 peak   661 spectrum    1 weight  0.10000E+01 volume  0.28292E-02 ppm1      4.434 ppm2      1.799 CV     1
 ASSI {  662}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 75   and name HA  ))
      2.200     0.600     0.600 peak   662 spectrum    1 weight  0.10000E+01 volume  0.68449E-02 ppm1      4.432 ppm2      2.349 CV     1
 OR {  662}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HA  ))
 ASSI {  663}
   (( segid "SF1 " and resid 78   and name HD1 ))
   (( segid "SF1 " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   663 spectrum    1 weight  0.10000E+01 volume  0.65595E-03 ppm1      4.433 ppm2      3.228 CV     1
 OR {  663}
   (( segid "SF1 " and resid 78   and name HD2 ))
   (( segid "SF1 " and resid 75   and name HA  ))
 ASSI {  664}
   (( segid "SF1 " and resid 71   and name HN  ))
   (( segid "SF1 " and resid 70   and name HA  ))
      2.000     0.500     0.500 peak   664 spectrum    1 weight  0.10000E+01 volume  0.13233E-01 ppm1      4.036 ppm2      8.402 CV     1
 ASSI {  665}
   (( segid "SF1 " and resid 70   and name HN  ))
   (( segid "SF1 " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak   665 spectrum    1 weight  0.10000E+01 volume  0.55672E-02 ppm1      4.035 ppm2      8.307 CV     1
 ASSI {  671}
   (( segid "SF1 " and resid 125  and name HN  ))
   (( segid "SF1 " and resid 124  and name HA  ))
      2.700     0.900     0.900 peak   671 spectrum    1 weight  0.10000E+01 volume  0.34566E-02 ppm1      4.280 ppm2      7.847 CV     1
 ASSI {  674}
   (( segid "SF1 " and resid 99   and name HN  ))
   (( segid "SF1 " and resid 98   and name HA  ))
      2.600     0.800     0.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.32627E-02 ppm1      4.245 ppm2      9.254 CV     1
 ASSI {  675}
   (( segid "SF1 " and resid 70   and name HG2 ))
   (( segid "SF1 " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak   675 spectrum    1 weight  0.10000E+01 volume  0.98680E-03 ppm1      4.032 ppm2      1.176 CV     1
 ASSI {  677}
   (( segid "SF1 " and resid 70   and name HB2 ))
   (( segid "SF1 " and resid 70   and name HA  ))
      2.300     0.600     0.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.87269E-02 ppm1      4.032 ppm2      1.624 CV     1
 OR {  677}
   (( segid "SF1 " and resid 70   and name HB1 ))
   (( segid "SF1 " and resid 70   and name HA  ))
 ASSI {  678}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HA  ))
      2.300     0.600     0.600 peak   678 spectrum    1 weight  0.10000E+01 volume  0.58181E-02 ppm1      3.743 ppm2      1.077 CV     1
 OR {  678}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (( segid "SF1 " and resid 59   and name HA  ))
 ASSI {  679}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 59   and name HA  ))
      3.500     1.500     1.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.95826E-03 ppm1      3.744 ppm2      1.290 CV     1
 ASSI {  680}
   (( segid "SF1 " and resid 59   and name HD2 ))
   (( segid "SF1 " and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.16770E-02 ppm1      3.744 ppm2      1.570 CV     1
 OR {  680}
   (( segid "SF1 " and resid 59   and name HD1 ))
   (( segid "SF1 " and resid 59   and name HA  ))
 ASSI {  681}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak   681 spectrum    1 weight  0.10000E+01 volume  0.23786E-02 ppm1      4.431 ppm2      8.633 CV     1
 ASSI {  682}
   (( segid "SF1 " and resid 76   and name HN  ))
   (( segid "SF1 " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   682 spectrum    1 weight  0.10000E+01 volume  0.10438E-02 ppm1      4.431 ppm2      7.955 CV     1
 ASSI {  685}
   (( segid "SF1 " and resid 98   and name HN  ))
   (( segid "SF1 " and resid 98   and name HA  ))
      3.500     1.500     1.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.66738E-03 ppm1      4.246 ppm2      0.077 CV     1
 ASSI {  686}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 33   and name HA  ))
      3.000     1.200     1.200 peak   686 spectrum    1 weight  0.10000E+01 volume  0.54073E-02 ppm1      4.241 ppm2      0.618 CV     1
 ASSI {  690}
   (( segid "SF1 " and resid 25   and name HB1 ))
   (( segid "SF1 " and resid 25   and name HA  ))
      2.100     0.600     0.600 peak   690 spectrum    1 weight  0.10000E+01 volume  0.94114E-02 ppm1      4.234 ppm2      1.974 CV     1
 ASSI {  696}
   (( segid "SF1 " and resid 102  and name HB1 ))
   (( segid "SF1 " and resid 102  and name HA  ))
      2.600     0.900     0.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.42381E-02 ppm1      4.084 ppm2      2.052 CV     1
 ASSI {  697}
   (( segid "SF1 " and resid 102  and name HG1 ))
   (( segid "SF1 " and resid 102  and name HA  ))
      3.000     1.100     1.100 peak   697 spectrum    1 weight  0.10000E+01 volume  0.19507E-02 ppm1      4.079 ppm2      2.569 CV     1
 ASSI {  699}
   (( segid "SF1 " and resid 67   and name HG1 ))
   (( segid "SF1 " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.43350E-02 ppm1      4.103 ppm2      2.125 CV     1
 ASSI {  700}
   (( segid "SF1 " and resid 87   and name HB2 ))
   (( segid "SF1 " and resid 88   and name HA  ))
      3.300     1.300     1.300 peak   700 spectrum    1 weight  0.10000E+01 volume  0.18880E-02 ppm1      4.186 ppm2      3.076 CV     1
 ASSI {  702}
   (  segid "SF1 " and resid 81   and name HE% )
   (( segid "SF1 " and resid 67   and name HA  ))
      3.800     1.800     1.800 peak   702 spectrum    1 weight  0.10000E+01 volume  0.83846E-03 ppm1      4.100 ppm2      7.389 CV     1
 ASSI {  703}
   (( segid "SF1 " and resid 102  and name HN  ))
   (( segid "SF1 " and resid 102  and name HA  ))
      3.000     1.100     1.100 peak   703 spectrum    1 weight  0.10000E+01 volume  0.16028E-02 ppm1      4.077 ppm2      7.287 CV     1
 ASSI {  704}
   (( segid "SF1 " and resid 103  and name HN  ))
   (( segid "SF1 " and resid 102  and name HA  ))
      2.200     0.600     0.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.72440E-02 ppm1      4.081 ppm2      8.347 CV     1
 ASSI {  705}
   (( segid "SF1 " and resid 68   and name HN  ))
   (( segid "SF1 " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   705 spectrum    1 weight  0.10000E+01 volume  0.36106E-02 ppm1      4.087 ppm2      8.580 CV     1
 ASSI {  706}
   (( segid "SF1 " and resid 33   and name HN  ))
   (( segid "SF1 " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.27208E-02 ppm1      4.243 ppm2      8.890 CV     1
 ASSI {  709}
   (( segid "SF1 " and resid 34   and name HN  ))
   (( segid "SF1 " and resid 33   and name HA  ))
      2.100     0.600     0.600 peak   709 spectrum    1 weight  0.10000E+01 volume  0.83846E-02 ppm1      4.240 ppm2      7.734 CV     1
 ASSI {  712}
   (( segid "SF1 " and resid 66   and name HN  ))
   (( segid "SF1 " and resid 67   and name HA  ))
      4.400     2.400     1.600 peak   712 spectrum    1 weight  0.10000E+01 volume  0.34680E-03 ppm1      4.106 ppm2      8.894 CV     1
 ASSI {  715}
   (( segid "SF1 " and resid 67   and name HN  ))
   (( segid "SF1 " and resid 67   and name HA  ))
      2.400     0.700     0.700 peak   715 spectrum    1 weight  0.10000E+01 volume  0.56185E-02 ppm1      4.103 ppm2      9.316 CV     1
 ASSI {  716}
   (( segid "SF1 " and resid 69   and name HN  ))
   (( segid "SF1 " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak   716 spectrum    1 weight  0.10000E+01 volume  0.56754E-03 ppm1      4.093 ppm2      9.459 CV     1
 ASSI {  717}
   (( segid "SF1 " and resid 80   and name HB2 ))
   (( segid "SF1 " and resid 79   and name HA  ))
      4.200     2.300     1.800 peak   717 spectrum    1 weight  0.10000E+01 volume  0.89554E-03 ppm1      4.976 ppm2      1.639 CV     1
 ASSI {  718}
   (( segid "SF1 " and resid 80   and name HG2 ))
   (( segid "SF1 " and resid 79   and name HA  ))
      4.000     2.000     2.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.18766E-02 ppm1      4.978 ppm2      1.865 CV     1
 ASSI {  719}
   (( segid "SF1 " and resid 79   and name HB1 ))
   (( segid "SF1 " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   719 spectrum    1 weight  0.10000E+01 volume  0.27893E-02 ppm1      4.979 ppm2      2.783 CV     1
 OR {  719}
   (( segid "SF1 " and resid 79   and name HB2 ))
   (( segid "SF1 " and resid 79   and name HA  ))
 ASSI {  720}
   (( segid "SF1 " and resid 80   and name HD2 ))
   (( segid "SF1 " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13348E-02 ppm1      4.982 ppm2      3.211 CV     1
 ASSI {  722}
   (( segid "SF1 " and resid 41   and name HB1 ))
   (  segid "SF1 " and resid 41   and name HD1%)
      2.800     1.000     1.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.33083E-02 ppm1      0.755 ppm2      1.744 CV     1
 ASSI {  724}
   (( segid "SF1 " and resid 28   and name HG1 ))
   (  segid "SF1 " and resid 41   and name HD1%)
      2.700     0.900     0.900 peak   724 spectrum    1 weight  0.10000E+01 volume  0.31372E-02 ppm1      0.756 ppm2      2.270 CV     1
 ASSI {  726}
   (( segid "SF1 " and resid 26   and name HN  ))
   (( segid "SF1 " and resid 26   and name HG  ))
      2.700     0.900     0.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.27721E-02 ppm1      1.566 ppm2      8.070 CV     1
 ASSI {  728}
   (( segid "SF1 " and resid 103  and name HN  ))
   (( segid "SF1 " and resid 103  and name HG2 ))
      3.600     1.600     1.600 peak   728 spectrum    1 weight  0.10000E+01 volume  0.10381E-02 ppm1      1.590 ppm2      8.343 CV     1
 ASSI {  730}
   (( segid "SF1 " and resid 103  and name HN  ))
   (( segid "SF1 " and resid 103  and name HG1 ))
      2.900     1.100     1.100 peak   730 spectrum    1 weight  0.10000E+01 volume  0.14089E-02 ppm1      1.856 ppm2      8.340 CV     1
 ASSI {  731}
   (( segid "SF1 " and resid 51   and name HZ  ))
   (( segid "SF1 " and resid 94   and name HG  ))
      3.800     1.800     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.60461E-03 ppm1      1.877 ppm2      6.700 CV     1
 ASSI {  732}
   (( segid "SF1 " and resid 80   and name HB1 ))
   (( segid "SF1 " and resid 80   and name HG2 ))
      2.900     1.100     1.100 peak   732 spectrum    1 weight  0.10000E+01 volume  0.36448E-02 ppm1      1.861 ppm2      0.556 CV     1
 ASSI {  736}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 28   and name HG1 ))
      3.600     1.700     1.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.15743E-02 ppm1      2.256 ppm2      0.904 CV     1
 OR {  736}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 28   and name HG1 ))
 ASSI {  737}
   (( segid "SF1 " and resid 80   and name HB1 ))
   (( segid "SF1 " and resid 80   and name HG1 ))
      2.500     0.800     0.800 peak   737 spectrum    1 weight  0.10000E+01 volume  0.37932E-02 ppm1      1.908 ppm2      0.554 CV     1
 OR {  737}
   (( segid "SF1 " and resid 80   and name HB1 ))
   (( segid "SF1 " and resid 80   and name HG2 ))
 ASSI {  739}
   (( segid "SF1 " and resid 101  and name HB2 ))
   (( segid "SF1 " and resid 101  and name HB1 ))
      1.900     0.400     0.400 peak   739 spectrum    1 weight  0.10000E+01 volume  0.10267E-01 ppm1      1.954 ppm2      1.526 CV     1
 OR {  739}
   (( segid "SF1 " and resid 101  and name HB2 ))
   (( segid "SF1 " and resid 101  and name HG2 ))
 ASSI {  740}
   (( segid "SF1 " and resid 101  and name HG2 ))
   (( segid "SF1 " and resid 101  and name HG1 ))
      1.900     0.500     0.500 peak   740 spectrum    1 weight  0.10000E+01 volume  0.84989E-02 ppm1      2.156 ppm2      1.944 CV     1
 OR {  740}
   (( segid "SF1 " and resid 101  and name HB1 ))
   (( segid "SF1 " and resid 101  and name HG1 ))
 ASSI {  741}
   (( segid "SF1 " and resid 101  and name HG1 ))
   (( segid "SF1 " and resid 101  and name HG2 ))
      1.900     0.400     0.400 peak   741 spectrum    1 weight  0.10000E+01 volume  0.86131E-02 ppm1      1.956 ppm2      2.167 CV     1
 ASSI {  742}
   (( segid "SF1 " and resid 28   and name HG1 ))
   (( segid "SF1 " and resid 28   and name HG2 ))
      1.700     0.400     0.500 peak   742 spectrum    1 weight  0.10000E+01 volume  0.13233E-01 ppm1      1.873 ppm2      2.253 CV     1
 ASSI {  744}
   (( segid "SF1 " and resid 28   and name HB1 ))
   (( segid "SF1 " and resid 28   and name HG1 ))
      2.300     0.700     0.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.45233E-02 ppm1      2.258 ppm2      2.391 CV     1
 ASSI {  745}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (( segid "SF1 " and resid 28   and name HG1 ))
      1.700     0.400     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.14431E-01 ppm1      2.259 ppm2      1.865 CV     1
 OR {  745}
   (( segid "SF1 " and resid 28   and name HB2 ))
   (( segid "SF1 " and resid 28   and name HG1 ))
 ASSI {  747}
   (( segid "SF1 " and resid 101  and name HG1 ))
   (( segid "SF1 " and resid 101  and name HB2 ))
      2.500     0.800     0.800 peak   747 spectrum    1 weight  0.10000E+01 volume  0.75863E-02 ppm1      1.528 ppm2      2.140 CV     1
 ASSI {  751}
   (( segid "SF1 " and resid 78   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HG1 ))
      1.600     0.300     0.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.58181E-01 ppm1      1.693 ppm2      1.896 CV     1
 OR {  751}
   (( segid "SF1 " and resid 78   and name HB2 ))
   (( segid "SF1 " and resid 78   and name HG2 ))
 OR {  751}
   (( segid "SF1 " and resid 78   and name HB2 ))
   (( segid "SF1 " and resid 78   and name HG1 ))
 OR {  751}
   (( segid "SF1 " and resid 78   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HG2 ))
 ASSI {  755}
   (( segid "SF1 " and resid 78   and name HD1 ))
   (( segid "SF1 " and resid 78   and name HG1 ))
      2.100     0.500     0.500 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12150E-01 ppm1      1.693 ppm2      3.227 CV     1
 OR {  755}
   (( segid "SF1 " and resid 78   and name HD2 ))
   (( segid "SF1 " and resid 78   and name HG1 ))
 OR {  755}
   (( segid "SF1 " and resid 78   and name HD1 ))
   (( segid "SF1 " and resid 78   and name HG2 ))
 OR {  755}
   (( segid "SF1 " and resid 78   and name HD2 ))
   (( segid "SF1 " and resid 78   and name HG2 ))
 ASSI {  758}
   (( segid "SF1 " and resid 101  and name HA  ))
   (( segid "SF1 " and resid 101  and name HB2 ))
      2.700     0.900     0.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.22074E-02 ppm1      1.532 ppm2      3.782 CV     1
 ASSI {  763}
   (( segid "SF1 " and resid 78   and name HA  ))
   (( segid "SF1 " and resid 78   and name HG2 ))
      2.800     1.000     1.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.28292E-02 ppm1      1.689 ppm2      4.019 CV     1
 OR {  763}
   (( segid "SF1 " and resid 78   and name HA  ))
   (( segid "SF1 " and resid 78   and name HG1 ))
 ASSI {  764}
   (( segid "SF1 " and resid 110  and name HA1 ))
   (( segid "SF1 " and resid 111  and name HG2 ))
      3.400     1.500     1.500 peak   764 spectrum    1 weight  0.10000E+01 volume  0.29375E-02 ppm1      1.875 ppm2      4.112 CV     1
 ASSI {  766}
   (( segid "SF1 " and resid 78   and name HN  ))
   (( segid "SF1 " and resid 78   and name HG1 ))
      2.500     0.800     0.800 peak   766 spectrum    1 weight  0.10000E+01 volume  0.41012E-02 ppm1      1.683 ppm2      7.604 CV     1
 OR {  766}
   (( segid "SF1 " and resid 78   and name HN  ))
   (( segid "SF1 " and resid 78   and name HG2 ))
 ASSI {  768}
   (( segid "SF1 " and resid 53   and name HN  ))
   (( segid "SF1 " and resid 53   and name HG2 ))
      2.900     1.100     1.100 peak   768 spectrum    1 weight  0.10000E+01 volume  0.15971E-02 ppm1      1.544 ppm2      8.031 CV     1
 ASSI {  769}
   (( segid "SF1 " and resid 53   and name HN  ))
   (( segid "SF1 " and resid 53   and name HG1 ))
      3.100     1.200     1.200 peak   769 spectrum    1 weight  0.10000E+01 volume  0.15515E-02 ppm1      1.605 ppm2      8.031 CV     1
 ASSI {  770}
   (( segid "SF1 " and resid 115  and name HN  ))
   (( segid "SF1 " and resid 115  and name HG2 ))
      3.600     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.96968E-03 ppm1      1.583 ppm2      7.817 CV     1
 ASSI {  771}
   (( segid "SF1 " and resid 115  and name HN  ))
   (( segid "SF1 " and resid 115  and name HG1 ))
      3.600     1.700     1.700 peak   771 spectrum    1 weight  0.10000E+01 volume  0.12720E-02 ppm1      1.737 ppm2      7.818 CV     1
 ASSI {  773}
   (( segid "SF1 " and resid 60   and name HN  ))
   (( segid "SF1 " and resid 59   and name HD2 ))
      4.700     2.700     1.300 peak   773 spectrum    1 weight  0.10000E+01 volume  0.58750E-03 ppm1      1.582 ppm2      8.204 CV     1
 OR {  773}
   (( segid "SF1 " and resid 60   and name HN  ))
   (( segid "SF1 " and resid 59   and name HD1 ))
 ASSI {  774}
   (( segid "SF1 " and resid 81   and name HN  ))
   (( segid "SF1 " and resid 80   and name HG2 ))
      2.900     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.13519E-02 ppm1      1.879 ppm2      8.504 CV     1
 ASSI {  775}
   (( segid "SF1 " and resid 53   and name HE  ))
   (( segid "SF1 " and resid 53   and name HG1 ))
      3.100     1.200     1.200 peak   775 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      1.596 ppm2      7.251 CV     1
 ASSI {  776}
   (( segid "SF1 " and resid 53   and name HE  ))
   (( segid "SF1 " and resid 53   and name HG2 ))
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.13576E-02 ppm1      1.529 ppm2      7.249 CV     1
 ASSI {  777}
   (  segid "SF1 " and resid 119  and name HD2%)
   (( segid "SF1 " and resid 116  and name HA  ))
      3.300     1.400     1.400 peak   777 spectrum    1 weight  0.10000E+01 volume  0.13290E-02 ppm1      4.406 ppm2      0.900 CV     1
 OR {  777}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 116  and name HA  ))
 ASSI {  779}
   (( segid "SF1 " and resid 119  and name HG  ))
   (( segid "SF1 " and resid 116  and name HA  ))
      3.200     1.300     1.300 peak   779 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      4.399 ppm2      1.750 CV     1
 ASSI {  781}
   (( segid "SF1 " and resid 116  and name HB2 ))
   (( segid "SF1 " and resid 116  and name HA  ))
      2.700     0.900     0.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.35992E-02 ppm1      4.403 ppm2      2.717 CV     1
 ASSI {  782}
   (( segid "SF1 " and resid 116  and name HB1 ))
   (( segid "SF1 " and resid 116  and name HA  ))
      2.900     1.100     1.100 peak   782 spectrum    1 weight  0.10000E+01 volume  0.22360E-02 ppm1      4.403 ppm2      2.810 CV     1
 ASSI {  783}
   (  segid "SF1 " and resid 99   and name HB% )
   (( segid "SF1 " and resid 101  and name HA  ))
      3.500     3.500     2.500 peak   783 spectrum    1 weight  0.10000E+01 volume  0.18139E-02 ppm1      3.785 ppm2      1.507 CV     1
 ASSI {  784}
   (( segid "SF1 " and resid 101  and name HB1 ))
   (( segid "SF1 " and resid 101  and name HA  ))
      3.700     1.700     1.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.76432E-03 ppm1      3.783 ppm2      1.965 CV     1
 OR {  784}
   (( segid "SF1 " and resid 101  and name HG2 ))
   (( segid "SF1 " and resid 101  and name HA  ))
 ASSI {  785}
   (( segid "SF1 " and resid 101  and name HG1 ))
   (( segid "SF1 " and resid 101  and name HA  ))
      3.100     1.200     1.200 peak   785 spectrum    1 weight  0.10000E+01 volume  0.18595E-02 ppm1      3.786 ppm2      2.154 CV     1
 ASSI {  786}
   (( segid "SF1 " and resid 102  and name HN  ))
   (( segid "SF1 " and resid 101  and name HA  ))
      3.400     1.400     1.400 peak   786 spectrum    1 weight  0.10000E+01 volume  0.75294E-03 ppm1      3.788 ppm2      7.273 CV     1
 ASSI {  787}
   (( segid "SF1 " and resid 101  and name HN  ))
   (( segid "SF1 " and resid 101  and name HA  ))
      2.600     0.800     0.800 peak   787 spectrum    1 weight  0.10000E+01 volume  0.34452E-02 ppm1      3.788 ppm2      7.593 CV     1
 ASSI {  788}
   (  segid "SF1 " and resid 88   and name HD2%)
   (( segid "SF1 " and resid 88   and name HA  ))
      3.100     1.200     1.200 peak   788 spectrum    1 weight  0.10000E+01 volume  0.24983E-02 ppm1      4.156 ppm2      0.587 CV     1
 ASSI {  790}
   (( segid "SF1 " and resid 88   and name HG  ))
   (( segid "SF1 " and resid 88   and name HA  ))
      2.700     0.900     0.900 peak   790 spectrum    1 weight  0.10000E+01 volume  0.23786E-02 ppm1      4.149 ppm2      1.138 CV     1
 ASSI {  791}
   (( segid "SF1 " and resid 88   and name HB2 ))
   (( segid "SF1 " and resid 88   and name HA  ))
      2.800     1.000     1.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.40213E-02 ppm1      4.149 ppm2      1.335 CV     1
 ASSI {  792}
   (( segid "SF1 " and resid 45   and name HN  ))
   (( segid "SF1 " and resid 44   and name HA  ))
      3.100     1.200     1.200 peak   792 spectrum    1 weight  0.10000E+01 volume  0.12035E-02 ppm1      5.258 ppm2      9.169 CV     1
 ASSI {  793}
   (( segid "SF1 " and resid 35   and name HN  ))
   (( segid "SF1 " and resid 44   and name HA  ))
      2.800     1.000     1.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.18310E-02 ppm1      5.257 ppm2      8.982 CV     1
 ASSI {  795}
   (( segid "SF1 " and resid 44   and name HB2 ))
   (( segid "SF1 " and resid 44   and name HA  ))
      3.600     1.600     1.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.61604E-03 ppm1      5.259 ppm2      2.538 CV     1
 ASSI {  796}
   (( segid "SF1 " and resid 77   and name HG2 ))
   (( segid "SF1 " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.24014E-02 ppm1      3.988 ppm2      1.244 CV     1
 ASSI {  797}
   (( segid "SF1 " and resid 77   and name HG1 ))
   (( segid "SF1 " and resid 77   and name HA  ))
      3.500     1.500     1.500 peak   797 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      3.988 ppm2      1.346 CV     1
 ASSI {  798}
   (( segid "SF1 " and resid 77   and name HB2 ))
   (( segid "SF1 " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak   798 spectrum    1 weight  0.10000E+01 volume  0.72440E-02 ppm1      3.989 ppm2      1.663 CV     1
 OR {  798}
   (( segid "SF1 " and resid 77   and name HD2 ))
   (( segid "SF1 " and resid 77   and name HA  ))
 ASSI {  799}
   (( segid "SF1 " and resid 77   and name HB1 ))
   (( segid "SF1 " and resid 77   and name HA  ))
      2.100     0.600     0.600 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10210E-01 ppm1      3.990 ppm2      1.787 CV     1
 ASSI {  800}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   800 spectrum    1 weight  0.10000E+01 volume  0.62172E-02 ppm1      3.989 ppm2      7.565 CV     1
 ASSI {  804}
   (( segid "SF1 " and resid 113  and name HB2 ))
   (( segid "SF1 " and resid 113  and name HA  ))
      3.300     1.300     1.300 peak   804 spectrum    1 weight  0.10000E+01 volume  0.13233E-02 ppm1      3.930 ppm2      2.379 CV     1
 ASSI {  805}
   (( segid "SF1 " and resid 113  and name HB1 ))
   (( segid "SF1 " and resid 113  and name HA  ))
      2.900     1.000     1.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.18994E-02 ppm1      3.929 ppm2      2.721 CV     1
 ASSI {  806}
   (( segid "SF1 " and resid 95   and name HN  ))
   (( segid "SF1 " and resid 95   and name HA  ))
      2.800     0.900     0.900 peak   806 spectrum    1 weight  0.10000E+01 volume  0.25554E-02 ppm1      4.328 ppm2     -0.272 CV     1
 ASSI {  807}
   (( segid "SF1 " and resid 95   and name HB1 ))
   (( segid "SF1 " and resid 95   and name HA  ))
      2.300     0.600     0.600 peak   807 spectrum    1 weight  0.10000E+01 volume  0.89554E-02 ppm1      4.327 ppm2      2.171 CV     1
 OR {  807}
   (( segid "SF1 " and resid 95   and name HB2 ))
   (( segid "SF1 " and resid 95   and name HA  ))
 ASSI {  808}
   (( segid "SF1 " and resid 95   and name HG2 ))
   (( segid "SF1 " and resid 95   and name HA  ))
      3.000     1.100     1.100 peak   808 spectrum    1 weight  0.10000E+01 volume  0.35650E-02 ppm1      4.329 ppm2      2.422 CV     1
 OR {  808}
   (( segid "SF1 " and resid 95   and name HG1 ))
   (( segid "SF1 " and resid 95   and name HA  ))
 ASSI {  809}
   (( segid "SF1 " and resid 22   and name HB1 ))
   (( segid "SF1 " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.34965E-02 ppm1      4.340 ppm2      3.834 CV     1
 OR {  809}
   (( segid "SF1 " and resid 22   and name HB2 ))
   (( segid "SF1 " and resid 22   and name HA  ))
 ASSI {  814}
   (  segid "SF1 " and resid 96   and name HB% )
   (( segid "SF1 " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   814 spectrum    1 weight  0.10000E+01 volume  0.33824E-02 ppm1      3.632 ppm2      1.793 CV     1
 ASSI {  815}
   (( segid "SF1 " and resid 39   and name HB2 ))
   (( segid "SF1 " and resid 39   and name HA  ))
      4.200     2.200     1.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.31201E-03 ppm1      3.625 ppm2      2.812 CV     1
 ASSI {  816}
   (( segid "SF1 " and resid 39   and name HB1 ))
   (( segid "SF1 " and resid 39   and name HA  ))
      3.400     1.400     1.400 peak   816 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      3.632 ppm2      3.202 CV     1
 ASSI {  817}
   (( segid "SF1 " and resid 92   and name HB2 ))
   (( segid "SF1 " and resid 92   and name HA  ))
      2.700     0.900     0.900 peak   817 spectrum    1 weight  0.10000E+01 volume  0.44377E-02 ppm1      4.238 ppm2      0.676 CV     1
 ASSI {  818}
   (( segid "SF1 " and resid 120  and name HG2 ))
   (( segid "SF1 " and resid 120  and name HA  ))
      2.700     0.900     0.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.43692E-02 ppm1      4.121 ppm2      1.425 CV     1
 ASSI {  819}
   (( segid "SF1 " and resid 120  and name HD2 ))
   (( segid "SF1 " and resid 120  and name HA  ))
      2.900     1.000     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.65026E-02 ppm1      4.124 ppm2      1.607 CV     1
 OR {  819}
   (( segid "SF1 " and resid 120  and name HD1 ))
   (( segid "SF1 " and resid 120  and name HA  ))
 ASSI {  820}
   (( segid "SF1 " and resid 120  and name HB1 ))
   (( segid "SF1 " and resid 120  and name HA  ))
      2.100     0.600     0.600 peak   820 spectrum    1 weight  0.10000E+01 volume  0.13062E-01 ppm1      4.124 ppm2      1.868 CV     1
 OR {  820}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 120  and name HA  ))
 ASSI {  823}
   (( segid "SF1 " and resid 94   and name HB2 ))
   (( segid "SF1 " and resid 94   and name HA  ))
      2.400     0.700     0.700 peak   823 spectrum    1 weight  0.10000E+01 volume  0.68449E-02 ppm1      4.030 ppm2      1.556 CV     1
 ASSI {  824}
   (( segid "SF1 " and resid 92   and name HB1 ))
   (( segid "SF1 " and resid 92   and name HA  ))
      3.300     1.400     1.400 peak   824 spectrum    1 weight  0.10000E+01 volume  0.50138E-03 ppm1      4.244 ppm2      0.864 CV     1
 ASSI {  825}
   (( segid "SF1 " and resid 112  and name HB2 ))
   (( segid "SF1 " and resid 112  and name HA  ))
      3.000     1.100     1.100 peak   825 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      4.018 ppm2      2.327 CV     1
 ASSI {  826}
   (( segid "SF1 " and resid 78   and name HD2 ))
   (( segid "SF1 " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   826 spectrum    1 weight  0.10000E+01 volume  0.22246E-02 ppm1      4.028 ppm2      3.224 CV     1
 OR {  826}
   (( segid "SF1 " and resid 78   and name HD1 ))
   (( segid "SF1 " and resid 78   and name HA  ))
 ASSI {  827}
   (( segid "SF1 " and resid 112  and name HB1 ))
   (( segid "SF1 " and resid 112  and name HA  ))
      2.800     1.000     1.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.22360E-02 ppm1      4.008 ppm2      2.505 CV     1
 ASSI {  828}
   (( segid "SF1 " and resid 93   and name HN  ))
   (( segid "SF1 " and resid 92   and name HA  ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.35935E-02 ppm1      4.240 ppm2      8.761 CV     1
 ASSI {  829}
   (( segid "SF1 " and resid 51   and name HZ  ))
   (( segid "SF1 " and resid 94   and name HA  ))
      2.600     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.29262E-02 ppm1      4.033 ppm2      6.692 CV     1
 ASSI {  830}
   (  segid "SF1 " and resid 51   and name HE% )
   (( segid "SF1 " and resid 94   and name HA  ))
      2.900     1.100     1.100 peak   830 spectrum    1 weight  0.10000E+01 volume  0.22531E-02 ppm1      4.029 ppm2      6.809 CV     1
 ASSI {  832}
   (( segid "SF1 " and resid 94   and name HN  ))
   (( segid "SF1 " and resid 94   and name HA  ))
      2.800     1.000     1.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.19336E-02 ppm1      4.034 ppm2      8.833 CV     1
 ASSI {  833}
   (( segid "SF1 " and resid 72   and name HN  ))
   (( segid "SF1 " and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.59324E-02 ppm1      3.857 ppm2      6.675 CV     1
 ASSI {  836}
   (( segid "SF1 " and resid 88   and name HN  ))
   (( segid "SF1 " and resid 85   and name HA  ))
      3.200     1.300     1.300 peak   836 spectrum    1 weight  0.10000E+01 volume  0.10267E-02 ppm1      3.740 ppm2      7.581 CV     1
 ASSI {  837}
   (( segid "SF1 " and resid 86   and name HN  ))
   (( segid "SF1 " and resid 85   and name HA  ))
      3.600     1.600     1.600 peak   837 spectrum    1 weight  0.10000E+01 volume  0.61035E-03 ppm1      3.751 ppm2      7.973 CV     1
 ASSI {  838}
   (( segid "SF1 " and resid 109  and name HB2 ))
   (( segid "SF1 " and resid 109  and name HA  ))
      3.000     1.100     1.100 peak   838 spectrum    1 weight  0.10000E+01 volume  0.28634E-02 ppm1      4.374 ppm2      2.496 CV     1
 ASSI {  839}
   (( segid "SF1 " and resid 109  and name HB1 ))
   (( segid "SF1 " and resid 109  and name HA  ))
      2.800     1.000     1.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.17682E-02 ppm1      4.384 ppm2      2.897 CV     1
 ASSI {  840}
   (( segid "SF1 " and resid 112  and name HG1 ))
   (( segid "SF1 " and resid 112  and name HA  ))
      2.600     0.800     0.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.10666E-01 ppm1      4.013 ppm2      2.012 CV     1
 OR {  840}
   (( segid "SF1 " and resid 112  and name HG2 ))
   (( segid "SF1 " and resid 112  and name HA  ))
 ASSI {  841}
   (  segid "SF1 " and resid 118  and name HB% )
   (( segid "SF1 " and resid 115  and name HA  ))
      2.600     0.900     0.900 peak   841 spectrum    1 weight  0.10000E+01 volume  0.36962E-02 ppm1      4.087 ppm2      1.459 CV     1
 ASSI {  842}
   (( segid "SF1 " and resid 115  and name HG2 ))
   (( segid "SF1 " and resid 115  and name HA  ))
      2.600     0.800     0.800 peak   842 spectrum    1 weight  0.10000E+01 volume  0.41696E-02 ppm1      4.084 ppm2      1.568 CV     1
 ASSI {  843}
   (( segid "SF1 " and resid 115  and name HG1 ))
   (( segid "SF1 " and resid 115  and name HA  ))
      2.500     0.800     0.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.57038E-02 ppm1      4.081 ppm2      1.737 CV     1
 ASSI {  844}
   (( segid "SF1 " and resid 115  and name HB1 ))
   (( segid "SF1 " and resid 115  and name HA  ))
      2.000     0.500     0.500 peak   844 spectrum    1 weight  0.10000E+01 volume  0.16371E-01 ppm1      4.083 ppm2      1.859 CV     1
 OR {  844}
   (( segid "SF1 " and resid 115  and name HB2 ))
   (( segid "SF1 " and resid 115  and name HA  ))
 ASSI {  848}
   (( segid "SF1 " and resid 45   and name HB1 ))
   (( segid "SF1 " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.23215E-02 ppm1      3.712 ppm2      2.067 CV     1
 OR {  848}
   (( segid "SF1 " and resid 45   and name HB2 ))
   (( segid "SF1 " and resid 45   and name HA  ))
 ASSI {  849}
   (( segid "SF1 " and resid 45   and name HG2 ))
   (( segid "SF1 " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak   849 spectrum    1 weight  0.10000E+01 volume  0.12663E-02 ppm1      3.712 ppm2      2.159 CV     1
 ASSI {  851}
   (( segid "SF1 " and resid 87   and name HB2 ))
   (( segid "SF1 " and resid 87   and name HB1 ))
      2.500     0.800     0.800 peak   851 spectrum    1 weight  0.10000E+01 volume  0.14773E-02 ppm1      3.713 ppm2      3.092 CV     1
 ASSI {  852}
   (( segid "SF1 " and resid 87   and name HN  ))
   (( segid "SF1 " and resid 87   and name HB1 ))
      4.100     2.100     1.900 peak   852 spectrum    1 weight  0.10000E+01 volume  0.90123E-03 ppm1      3.717 ppm2      8.504 CV     1
 ASSI {  853}
   (( segid "SF1 " and resid 45   and name HN  ))
   (( segid "SF1 " and resid 45   and name HA  ))
      3.600     1.700     1.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.47571E-03 ppm1      3.712 ppm2      9.182 CV     1
 ASSI {  856}
   (( segid "SF1 " and resid 119  and name HN  ))
   (( segid "SF1 " and resid 116  and name HA  ))
      3.400     1.400     1.400 peak   856 spectrum    1 weight  0.10000E+01 volume  0.83846E-03 ppm1      4.403 ppm2      7.953 CV     1
 ASSI {  858}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 109  and name HA  ))
      3.000     1.200     1.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.17797E-02 ppm1      4.373 ppm2      7.118 CV     1
 ASSI {  860}
   (( segid "SF1 " and resid 119  and name HN  ))
   (( segid "SF1 " and resid 119  and name HA  ))
      2.400     0.700     0.700 peak   860 spectrum    1 weight  0.10000E+01 volume  0.56982E-02 ppm1      4.145 ppm2      7.949 CV     1
 ASSI {  864}
   (( segid "SF1 " and resid 27   and name HB2 ))
   (( segid "SF1 " and resid 27   and name HA  ))
      3.400     1.400     1.400 peak   864 spectrum    1 weight  0.10000E+01 volume  0.69587E-03 ppm1      4.242 ppm2      2.783 CV     1
 ASSI {  865}
   (  segid "SF1 " and resid 88   and name HD2%)
   (( segid "SF1 " and resid 85   and name HA  ))
      3.000     1.100     1.100 peak   865 spectrum    1 weight  0.10000E+01 volume  0.29490E-02 ppm1      3.747 ppm2      0.577 CV     1
 ASSI {  866}
   (( segid "SF1 " and resid 88   and name HG  ))
   (( segid "SF1 " and resid 85   and name HA  ))
      3.800     1.800     1.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.92403E-03 ppm1      3.745 ppm2      1.163 CV     1
 ASSI {  867}
   (( segid "SF1 " and resid 88   and name HB2 ))
   (( segid "SF1 " and resid 85   and name HA  ))
      3.200     1.300     1.300 peak   867 spectrum    1 weight  0.10000E+01 volume  0.62172E-03 ppm1      3.740 ppm2      1.320 CV     1
 ASSI {  869}
   (( segid "SF1 " and resid 85   and name HB1 ))
   (( segid "SF1 " and resid 85   and name HA  ))
      2.400     0.700     0.700 peak   869 spectrum    1 weight  0.10000E+01 volume  0.50934E-02 ppm1      3.745 ppm2      1.989 CV     1
 ASSI {  870}
   (( segid "SF1 " and resid 85   and name HG1 ))
   (( segid "SF1 " and resid 85   and name HA  ))
      3.100     1.200     1.200 peak   870 spectrum    1 weight  0.10000E+01 volume  0.39586E-02 ppm1      3.742 ppm2      2.078 CV     1
 ASSI {  871}
   (( segid "SF1 " and resid 95   and name HN  ))
   (( segid "SF1 " and resid 94   and name HG  ))
      4.200     2.200     1.800 peak   871 spectrum    1 weight  0.10000E+01 volume  0.29204E-03 ppm1      1.869 ppm2     -0.276 CV     1
 ASSI {  872}
   (  segid "SF1 " and resid 55   and name HG2%)
   (( segid "SF1 " and resid 94   and name HG  ))
      4.200     2.200     1.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.34566E-03 ppm1      1.872 ppm2      0.241 CV     1
 ASSI {  873}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 59   and name HD1 ))
      4.000     2.000     2.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.74721E-03 ppm1      1.580 ppm2     -0.151 CV     1
 OR {  873}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 59   and name HD2 ))
 ASSI {  875}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HD2 ))
      2.200     0.600     0.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.79286E-02 ppm1      1.579 ppm2      1.081 CV     1
 OR {  875}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (( segid "SF1 " and resid 59   and name HD2 ))
 OR {  875}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (( segid "SF1 " and resid 59   and name HD1 ))
 OR {  875}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HD1 ))
 ASSI {  876}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 59   and name HD1 ))
      1.900     0.500     0.500 peak   876 spectrum    1 weight  0.10000E+01 volume  0.13005E-01 ppm1      1.582 ppm2      1.301 CV     1
 OR {  876}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 59   and name HD2 ))
 ASSI {  877}
   (( segid "SF1 " and resid 57   and name HB2 ))
   (( segid "SF1 " and resid 59   and name HD1 ))
      3.300     1.400     1.400 peak   877 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      1.579 ppm2      2.386 CV     1
 OR {  877}
   (( segid "SF1 " and resid 57   and name HB2 ))
   (( segid "SF1 " and resid 59   and name HD2 ))
 ASSI {  878}
   (( segid "SF1 " and resid 57   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HD1 ))
      3.900     1.900     1.900 peak   878 spectrum    1 weight  0.10000E+01 volume  0.11294E-02 ppm1      1.577 ppm2      2.789 CV     1
 OR {  878}
   (( segid "SF1 " and resid 57   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HD2 ))
 ASSI {  879}
   (( segid "SF1 " and resid 59   and name HE1 ))
   (( segid "SF1 " and resid 59   and name HD2 ))
      2.100     0.600     0.600 peak   879 spectrum    1 weight  0.10000E+01 volume  0.11465E-01 ppm1      1.579 ppm2      2.906 CV     1
 OR {  879}
   (( segid "SF1 " and resid 59   and name HE2 ))
   (( segid "SF1 " and resid 59   and name HD1 ))
 OR {  879}
   (( segid "SF1 " and resid 59   and name HE1 ))
   (( segid "SF1 " and resid 59   and name HD1 ))
 OR {  879}
   (( segid "SF1 " and resid 59   and name HE2 ))
   (( segid "SF1 " and resid 59   and name HD2 ))
 ASSI {  880}
   (( segid "SF1 " and resid 54   and name HA  ))
   (( segid "SF1 " and resid 59   and name HD1 ))
      2.500     0.800     0.800 peak   880 spectrum    1 weight  0.10000E+01 volume  0.59324E-02 ppm1      1.583 ppm2      3.148 CV     1
 OR {  880}
   (( segid "SF1 " and resid 54   and name HA  ))
   (( segid "SF1 " and resid 59   and name HD2 ))
 ASSI {  882}
   (  segid "SF1 " and resid 61   and name HE% )
   (( segid "SF1 " and resid 59   and name HD2 ))
      3.300     1.400     1.400 peak   882 spectrum    1 weight  0.10000E+01 volume  0.10666E-02 ppm1      1.577 ppm2      6.516 CV     1
 OR {  882}
   (  segid "SF1 " and resid 61   and name HE% )
   (( segid "SF1 " and resid 59   and name HD1 ))
 ASSI {  883}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 59   and name HD1 ))
      3.800     1.800     1.800 peak   883 spectrum    1 weight  0.10000E+01 volume  0.16998E-02 ppm1      1.578 ppm2      7.706 CV     1
 OR {  883}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 59   and name HD2 ))
 ASSI {  884}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 117  and name HG2 ))
      4.200     2.200     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.48084E-03 ppm1      1.646 ppm2      6.702 CV     1
 OR {  884}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 117  and name HG2 ))
 ASSI {  885}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 117  and name HG1 ))
      3.700     1.700     1.700 peak   885 spectrum    1 weight  0.10000E+01 volume  0.61035E-03 ppm1      1.855 ppm2      6.690 CV     1
 OR {  885}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 117  and name HG1 ))
 ASSI {  886}
   (( segid "SF1 " and resid 117  and name HN  ))
   (( segid "SF1 " and resid 117  and name HG1 ))
      3.700     1.700     1.700 peak   886 spectrum    1 weight  0.10000E+01 volume  0.17910E-02 ppm1      1.858 ppm2      8.238 CV     1
 ASSI {  893}
   (( segid "SF1 " and resid 122  and name HN  ))
   (( segid "SF1 " and resid 122  and name HB1 ))
      2.500     0.800     0.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.77575E-02 ppm1      2.118 ppm2      7.871 CV     1
 ASSI {  895}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 120  and name HD2 ))
      3.400     1.400     1.400 peak   895 spectrum    1 weight  0.10000E+01 volume  0.14203E-02 ppm1      1.635 ppm2      7.873 CV     1
 OR {  895}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 120  and name HD1 ))
 ASSI {  900}
   (( segid "SF1 " and resid 65   and name HN  ))
   (( segid "SF1 " and resid 65   and name HB2 ))
      2.800     1.000     1.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.23272E-02 ppm1      1.819 ppm2      9.269 CV     1
 ASSI {  901}
   (( segid "SF1 " and resid 65   and name HN  ))
   (( segid "SF1 " and resid 65   and name HB1 ))
      3.500     1.600     1.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.19622E-02 ppm1      2.147 ppm2      9.271 CV     1
 ASSI {  903}
   (( segid "SF1 " and resid 66   and name HN  ))
   (( segid "SF1 " and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.33254E-02 ppm1      1.819 ppm2      8.890 CV     1
 ASSI {  904}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 120  and name HD1 ))
      4.000     2.000     2.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.33539E-03 ppm1      1.601 ppm2      6.700 CV     1
 OR {  904}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 120  and name HD2 ))
 OR {  904}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 120  and name HD1 ))
 ASSI {  905}
   (( segid "SF1 " and resid 70   and name HN  ))
   (( segid "SF1 " and resid 70   and name HD2 ))
      4.300     2.300     1.700 peak   905 spectrum    1 weight  0.10000E+01 volume  0.46658E-03 ppm1      1.599 ppm2      8.310 CV     1
 OR {  905}
   (( segid "SF1 " and resid 70   and name HN  ))
   (( segid "SF1 " and resid 70   and name HD1 ))
 ASSI {  906}
   (( segid "SF1 " and resid 71   and name HN  ))
   (( segid "SF1 " and resid 70   and name HD2 ))
      3.500     3.500     2.500 peak   906 spectrum    1 weight  0.10000E+01 volume  0.26923E-03 ppm1      1.597 ppm2      8.394 CV     1
 OR {  906}
   (( segid "SF1 " and resid 71   and name HN  ))
   (( segid "SF1 " and resid 70   and name HD1 ))
 ASSI {  907}
   (( segid "SF1 " and resid 108  and name HN  ))
   (( segid "SF1 " and resid 108  and name HD2 ))
      4.400     2.400     1.600 peak   907 spectrum    1 weight  0.10000E+01 volume  0.52417E-03 ppm1      1.430 ppm2      8.140 CV     1
 ASSI {  908}
   (( segid "SF1 " and resid 59   and name HB2 ))
   (( segid "SF1 " and resid 59   and name HD1 ))
      2.500     0.800     0.800 peak   908 spectrum    1 weight  0.10000E+01 volume  0.48312E-02 ppm1      1.574 ppm2      0.997 CV     1
 OR {  908}
   (( segid "SF1 " and resid 59   and name HB2 ))
   (( segid "SF1 " and resid 59   and name HD2 ))
 ASSI {  911}
   (( segid "SF1 " and resid 56   and name HB1 ))
   (( segid "SF1 " and resid 56   and name HB2 ))
      1.900     0.500     0.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.77006E-02 ppm1      1.622 ppm2      2.022 CV     1
 ASSI {  912}
   (( segid "SF1 " and resid 56   and name HG2 ))
   (( segid "SF1 " and resid 56   and name HB2 ))
      2.500     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.61035E-02 ppm1      1.621 ppm2      2.125 CV     1
 ASSI {  913}
   (( segid "SF1 " and resid 76   and name HB1 ))
   (( segid "SF1 " and resid 76   and name HB2 ))
      2.300     0.600     0.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.22588E-02 ppm1      1.219 ppm2      1.835 CV     1
 ASSI {  914}
   (  segid "SF1 " and resid 71   and name HG2%)
   (( segid "SF1 " and resid 76   and name HB1 ))
      3.100     1.200     1.200 peak   914 spectrum    1 weight  0.10000E+01 volume  0.12663E-02 ppm1      1.834 ppm2      0.516 CV     1
 ASSI {  915}
   (( segid "SF1 " and resid 76   and name HB2 ))
   (( segid "SF1 " and resid 76   and name HB1 ))
      2.200     0.600     0.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.28691E-02 ppm1      1.832 ppm2      1.201 CV     1
 OR {  915}
   (( segid "SF1 " and resid 76   and name HG2 ))
   (( segid "SF1 " and resid 76   and name HB1 ))
 ASSI {  917}
   (( segid "SF1 " and resid 85   and name HG1 ))
   (( segid "SF1 " and resid 85   and name HB2 ))
      2.100     0.600     0.600 peak   917 spectrum    1 weight  0.10000E+01 volume  0.11009E-01 ppm1      1.825 ppm2      2.099 CV     1
 ASSI {  918}
   (( segid "SF1 " and resid 85   and name HB2 ))
   (( segid "SF1 " and resid 85   and name HB1 ))
      1.500     0.300     0.700 peak   918 spectrum    1 weight  0.10000E+01 volume  0.29262E-01 ppm1      2.006 ppm2      1.817 CV     1
 ASSI {  920}
   (( segid "SF1 " and resid 108  and name HG2 ))
   (( segid "SF1 " and resid 108  and name HD1 ))
      2.700     0.900     0.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.25383E-02 ppm1      1.478 ppm2      0.667 CV     1
 ASSI {  925}
   (( segid "SF1 " and resid 95   and name HG2 ))
   (( segid "SF1 " and resid 95   and name HB1 ))
      1.900     0.400     0.400 peak   925 spectrum    1 weight  0.10000E+01 volume  0.30060E-01 ppm1      2.170 ppm2      2.387 CV     1
 OR {  925}
   (( segid "SF1 " and resid 95   and name HG2 ))
   (( segid "SF1 " and resid 95   and name HB2 ))
 ASSI {  927}
   (( segid "SF1 " and resid 65   and name HB1 ))
   (( segid "SF1 " and resid 65   and name HB2 ))
      1.700     0.400     0.500 peak   927 spectrum    1 weight  0.10000E+01 volume  0.17283E-01 ppm1      1.817 ppm2      2.158 CV     1
 OR {  927}
   (( segid "SF1 " and resid 65   and name HG2 ))
   (( segid "SF1 " and resid 65   and name HB2 ))
 ASSI {  929}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 33   and name HD1 ))
      3.300     1.300     1.300 peak   929 spectrum    1 weight  0.10000E+01 volume  0.12777E-02 ppm1      1.718 ppm2      0.716 CV     1
 OR {  929}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 33   and name HD2 ))
 ASSI {  930}
   (( segid "SF1 " and resid 52   and name HG2 ))
   (( segid "SF1 " and resid 52   and name HD1 ))
      2.900     1.000     1.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.19793E-02 ppm1      1.740 ppm2      1.022 CV     1
 ASSI {  931}
   (( segid "SF1 " and resid 52   and name HB1 ))
   (( segid "SF1 " and resid 52   and name HD1 ))
      3.100     1.200     1.200 peak   931 spectrum    1 weight  0.10000E+01 volume  0.22702E-02 ppm1      1.741 ppm2      2.508 CV     1
 ASSI {  933}
   (( segid "SF1 " and resid 52   and name HB1 ))
   (( segid "SF1 " and resid 52   and name HD2 ))
      3.100     1.200     1.200 peak   933 spectrum    1 weight  0.10000E+01 volume  0.11807E-02 ppm1      1.466 ppm2      2.517 CV     1
 ASSI {  934}
   (( segid "SF1 " and resid 108  and name HE1 ))
   (( segid "SF1 " and resid 108  and name HD1 ))
      2.500     0.800     0.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.48028E-02 ppm1      1.476 ppm2      2.731 CV     1
 OR {  934}
   (( segid "SF1 " and resid 108  and name HE2 ))
   (( segid "SF1 " and resid 108  and name HD1 ))
 ASSI {  935}
   (( segid "SF1 " and resid 111  and name HB1 ))
   (( segid "SF1 " and resid 111  and name HG1 ))
      2.400     0.700     0.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.33368E-02 ppm1      1.992 ppm2      2.315 CV     1
 ASSI {  936}
   (( segid "SF1 " and resid 111  and name HB1 ))
   (( segid "SF1 " and resid 111  and name HG2 ))
      2.600     0.800     0.800 peak   936 spectrum    1 weight  0.10000E+01 volume  0.60461E-02 ppm1      1.895 ppm2      2.315 CV     1
 ASSI {  937}
   (( segid "SF1 " and resid 117  and name HG2 ))
   (( segid "SF1 " and resid 117  and name HG1 ))
      1.700     0.400     0.500 peak   937 spectrum    1 weight  0.10000E+01 volume  0.14089E-01 ppm1      1.857 ppm2      1.646 CV     1
 ASSI {  938}
   (( segid "SF1 " and resid 108  and name HE2 ))
   (( segid "SF1 " and resid 108  and name HD2 ))
      2.600     0.900     0.900 peak   938 spectrum    1 weight  0.10000E+01 volume  0.37475E-02 ppm1      1.415 ppm2      2.736 CV     1
 OR {  938}
   (( segid "SF1 " and resid 108  and name HE1 ))
   (( segid "SF1 " and resid 108  and name HD2 ))
 ASSI {  941}
   (( segid "SF1 " and resid 85   and name HA  ))
   (( segid "SF1 " and resid 85   and name HB2 ))
      3.000     1.100     1.100 peak   941 spectrum    1 weight  0.10000E+01 volume  0.23500E-02 ppm1      1.822 ppm2      3.739 CV     1
 ASSI {  943}
   (( segid "SF1 " and resid 122  and name HA  ))
   (( segid "SF1 " and resid 122  and name HB1 ))
      2.800     1.000     1.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.33767E-02 ppm1      2.128 ppm2      4.206 CV     1
 ASSI {  945}
   (( segid "SF1 " and resid 117  and name HD2 ))
   (( segid "SF1 " and resid 117  and name HG1 ))
      2.700     0.900     0.900 peak   945 spectrum    1 weight  0.10000E+01 volume  0.21504E-02 ppm1      1.858 ppm2      3.165 CV     1
 ASSI {  946}
   (( segid "SF1 " and resid 117  and name HD2 ))
   (( segid "SF1 " and resid 117  and name HG2 ))
      2.900     1.000     1.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.25896E-02 ppm1      1.643 ppm2      3.166 CV     1
 ASSI {  948}
   (( segid "SF1 " and resid 117  and name HD1 ))
   (( segid "SF1 " and resid 117  and name HG1 ))
      3.000     1.200     1.200 peak   948 spectrum    1 weight  0.10000E+01 volume  0.18880E-02 ppm1      1.857 ppm2      3.240 CV     1
 ASSI {  949}
   (( segid "SF1 " and resid 117  and name HA  ))
   (( segid "SF1 " and resid 120  and name HD1 ))
      3.000     1.100     1.100 peak   949 spectrum    1 weight  0.10000E+01 volume  0.20192E-02 ppm1      1.630 ppm2      4.029 CV     1
 OR {  949}
   (( segid "SF1 " and resid 117  and name HA  ))
   (( segid "SF1 " and resid 120  and name HD2 ))
 ASSI {  952}
   (( segid "SF1 " and resid 76   and name HA  ))
   (( segid "SF1 " and resid 76   and name HB1 ))
      3.000     1.100     1.100 peak   952 spectrum    1 weight  0.10000E+01 volume  0.13290E-02 ppm1      1.827 ppm2      3.920 CV     1
 ASSI {  953}
   (( segid "SF1 " and resid 82   and name HA  ))
   (( segid "SF1 " and resid 85   and name HB2 ))
      2.800     1.000     1.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.19679E-02 ppm1      1.817 ppm2      4.013 CV     1
 ASSI {  957}
   (  segid "SF1 " and resid 55   and name HG2%)
   (( segid "SF1 " and resid 94   and name HA  ))
      3.300     1.400     1.400 peak   957 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      4.040 ppm2      0.247 CV     1
 ASSI {  960}
   (  segid "SF1 " and resid 94   and name HD2%)
   (( segid "SF1 " and resid 94   and name HA  ))
      2.500     0.800     0.800 peak   960 spectrum    1 weight  0.10000E+01 volume  0.76432E-02 ppm1      4.034 ppm2      0.936 CV     1
 ASSI {  961}
   (  segid "SF1 " and resid 71   and name HD1%)
   (( segid "SF1 " and resid 71   and name HA  ))
      2.300     0.700     0.700 peak   961 spectrum    1 weight  0.10000E+01 volume  0.44149E-02 ppm1      3.861 ppm2      0.439 CV     1
 ASSI {  963}
   (( segid "SF1 " and resid 71   and name HG11))
   (( segid "SF1 " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak   963 spectrum    1 weight  0.10000E+01 volume  0.86131E-03 ppm1      3.863 ppm2      1.615 CV     1
 ASSI {  964}
   (( segid "SF1 " and resid 75   and name HB2 ))
   (( segid "SF1 " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.40327E-02 ppm1      3.865 ppm2      1.806 CV     1
 ASSI {  965}
   (( segid "SF1 " and resid 71   and name HB  ))
   (( segid "SF1 " and resid 71   and name HA  ))
      3.000     1.100     1.100 peak   965 spectrum    1 weight  0.10000E+01 volume  0.17226E-02 ppm1      3.865 ppm2      1.991 CV     1
 ASSI {  966}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 71   and name HA  ))
      4.600     2.600     1.400 peak   966 spectrum    1 weight  0.10000E+01 volume  0.35193E-03 ppm1      3.869 ppm2      2.360 CV     1
 ASSI {  968}
   (( segid "SF1 " and resid 87   and name HN  ))
   (( segid "SF1 " and resid 87   and name HB2 ))
      3.400     1.500     1.500 peak   968 spectrum    1 weight  0.10000E+01 volume  0.42324E-03 ppm1      3.076 ppm2      8.490 CV     1
 ASSI {  969}
   (( segid "SF1 " and resid 42   and name HN  ))
   (  segid "SF1 " and resid 41   and name HD1%)
      4.400     2.400     1.600 peak   969 spectrum    1 weight  0.10000E+01 volume  0.44206E-03 ppm1      0.758 ppm2      8.161 CV     1
 ASSI {  970}
   (( segid "SF1 " and resid 92   and name HN  ))
   (  segid "SF1 " and resid 41   and name HD1%)
      4.200     2.200     1.800 peak   970 spectrum    1 weight  0.10000E+01 volume  0.28292E-03 ppm1      0.757 ppm2      8.006 CV     1
 ASSI {  971}
   (( segid "SF1 " and resid 41   and name HN  ))
   (  segid "SF1 " and resid 41   and name HD1%)
      5.200     3.400     0.800 peak   971 spectrum    1 weight  0.10000E+01 volume  0.11465E-03 ppm1      0.756 ppm2      7.639 CV     1
 ASSI {  973}
   (  segid "SF1 " and resid 43   and name HG2%)
   (  segid "SF1 " and resid 41   and name HD1%)
      2.700     0.900     0.900 peak   973 spectrum    1 weight  0.10000E+01 volume  0.40384E-02 ppm1      0.755 ppm2      1.341 CV     1
 ASSI {  974}
   (( segid "SF1 " and resid 90   and name HB  ))
   (  segid "SF1 " and resid 41   and name HD1%)
      2.800     0.900     0.900 peak   974 spectrum    1 weight  0.10000E+01 volume  0.24869E-02 ppm1      0.756 ppm2      2.371 CV     1
 ASSI {  975}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HG1 ))
      3.500     1.500     1.500 peak   975 spectrum    1 weight  0.10000E+01 volume  0.13804E-02 ppm1      1.682 ppm2      2.345 CV     1
 OR {  975}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 78   and name HG1 ))
 OR {  975}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 78   and name HG2 ))
 OR {  975}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HG2 ))
 ASSI {  979}
   (( segid "SF1 " and resid 50   and name HN  ))
   (( segid "SF1 " and resid 53   and name HG2 ))
      4.300     2.300     1.700 peak   979 spectrum    1 weight  0.10000E+01 volume  0.45860E-03 ppm1      1.535 ppm2      8.567 CV     1
 ASSI {  983}
   (( segid "SF1 " and resid 117  and name HN  ))
   (( segid "SF1 " and resid 117  and name HA  ))
      2.800     1.000     1.000 peak   983 spectrum    1 weight  0.10000E+01 volume  0.24413E-02 ppm1      4.028 ppm2      8.238 CV     1
 ASSI {  985}
   (( segid "SF1 " and resid 54   and name HN  ))
   (( segid "SF1 " and resid 53   and name HA  ))
      3.300     1.300     1.300 peak   985 spectrum    1 weight  0.10000E+01 volume  0.12777E-02 ppm1      3.981 ppm2      7.606 CV     1
 ASSI {  986}
   (( segid "SF1 " and resid 53   and name HN  ))
   (( segid "SF1 " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.26067E-02 ppm1      3.983 ppm2      8.027 CV     1
 ASSI {  987}
   (( segid "SF1 " and resid 57   and name HD21))
   (( segid "SF1 " and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   987 spectrum    1 weight  0.10000E+01 volume  0.17226E-02 ppm1      3.988 ppm2      7.741 CV     1
 ASSI {  988}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 114  and name HA  ))
      2.600     0.800     0.800 peak   988 spectrum    1 weight  0.10000E+01 volume  0.38160E-02 ppm1      3.912 ppm2      7.780 CV     1
 ASSI {  989}
   (( segid "SF1 " and resid 76   and name HN  ))
   (( segid "SF1 " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak   989 spectrum    1 weight  0.10000E+01 volume  0.26751E-02 ppm1      3.929 ppm2      7.960 CV     1
 ASSI {  990}
   (( segid "SF1 " and resid 56   and name HN  ))
   (( segid "SF1 " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak   990 spectrum    1 weight  0.10000E+01 volume  0.13404E-02 ppm1      3.988 ppm2      8.817 CV     1
 ASSI {  991}
   (( segid "SF1 " and resid 56   and name HN  ))
   (( segid "SF1 " and resid 56   and name HA  ))
      2.900     1.100     1.100 peak   991 spectrum    1 weight  0.10000E+01 volume  0.18880E-02 ppm1      3.832 ppm2      8.815 CV     1
 ASSI {  993}
   (( segid "SF1 " and resid 72   and name HN  ))
   (( segid "SF1 " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak   993 spectrum    1 weight  0.10000E+01 volume  0.17625E-02 ppm1      3.926 ppm2      6.681 CV     1
 ASSI {  996}
   (( segid "SF1 " and resid 118  and name HN  ))
   (( segid "SF1 " and resid 117  and name HA  ))
      3.000     1.100     1.100 peak   996 spectrum    1 weight  0.10000E+01 volume  0.18937E-02 ppm1      4.025 ppm2      7.760 CV     1
 ASSI {  998}
   (( segid "SF1 " and resid 115  and name HN  ))
   (( segid "SF1 " and resid 115  and name HA  ))
      2.600     0.800     0.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.41981E-02 ppm1      4.085 ppm2      7.813 CV     1
 ASSI { 1000}
   (( segid "SF1 " and resid 85   and name HE21))
   (( segid "SF1 " and resid 85   and name HA  ))
      3.700     1.700     1.700 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.30801E-03 ppm1      3.747 ppm2      7.310 CV     1
 ASSI { 1001}
   (( segid "SF1 " and resid 112  and name HN  ))
   (( segid "SF1 " and resid 112  and name HA  ))
      2.900     1.000     1.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.19051E-02 ppm1      4.011 ppm2      7.397 CV     1
 ASSI { 1002}
   (( segid "SF1 " and resid 86   and name HN  ))
   (( segid "SF1 " and resid 86   and name HA  ))
      3.400     1.400     1.400 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.73009E-03 ppm1      4.176 ppm2      7.970 CV     1
 ASSI { 1003}
   (( segid "SF1 " and resid 90   and name HN  ))
   (( segid "SF1 " and resid 86   and name HA  ))
      4.300     2.300     1.700 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.32741E-03 ppm1      4.171 ppm2      8.298 CV     1
 ASSI { 1004}
   (( segid "SF1 " and resid 89   and name HN  ))
   (( segid "SF1 " and resid 86   and name HA  ))
      3.600     1.700     1.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.65595E-03 ppm1      4.170 ppm2      8.606 CV     1
 ASSI { 1005}
   (( segid "SF1 " and resid 87   and name HN  ))
   (( segid "SF1 " and resid 86   and name HA  ))
      4.000     2.000     2.000 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.32114E-03 ppm1      4.171 ppm2      8.531 CV     1
 ASSI { 1008}
   (( segid "SF1 " and resid 86   and name HN  ))
   (( segid "SF1 " and resid 83   and name HA  ))
      4.000     2.000     2.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.32855E-03 ppm1      3.715 ppm2      7.960 CV     1
 ASSI { 1010}
   (( segid "SF1 " and resid 87   and name HN  ))
   (( segid "SF1 " and resid 83   and name HA  ))
      4.600     2.700     1.400 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.20135E-03 ppm1      3.717 ppm2      8.510 CV     1
 ASSI { 1014}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 95   and name HB2 ))
      3.800     1.800     1.800 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.58181E-03 ppm1      2.176 ppm2      7.155 CV     1
 OR { 1014}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 95   and name HB1 ))
 ASSI { 1015}
   (  segid "SF1 " and resid 71   and name HD1%)
   (( segid "SF1 " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      3.927 ppm2      0.439 CV     1
 ASSI { 1016}
   (  segid "SF1 " and resid 71   and name HG2%)
   (( segid "SF1 " and resid 76   and name HA  ))
      2.600     0.900     0.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.34623E-02 ppm1      3.928 ppm2      0.521 CV     1
 ASSI { 1017}
   (( segid "SF1 " and resid 76   and name HB2 ))
   (( segid "SF1 " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.29546E-02 ppm1      3.928 ppm2      1.197 CV     1
 OR { 1017}
   (( segid "SF1 " and resid 76   and name HG2 ))
   (( segid "SF1 " and resid 76   and name HA  ))
 ASSI { 1018}
   (( segid "SF1 " and resid 114  and name HG2 ))
   (( segid "SF1 " and resid 114  and name HA  ))
      2.800     1.000     1.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.22987E-02 ppm1      3.921 ppm2      1.337 CV     1
 ASSI { 1019}
   (( segid "SF1 " and resid 114  and name HG1 ))
   (( segid "SF1 " and resid 114  and name HA  ))
      3.000     1.200     1.200 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.19964E-02 ppm1      3.922 ppm2      1.489 CV     1
 ASSI { 1022}
   (( segid "SF1 " and resid 117  and name HB1 ))
   (( segid "SF1 " and resid 114  and name HA  ))
      2.700     0.900     0.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.24071E-02 ppm1      3.926 ppm2      1.981 CV     1
 ASSI { 1023}
   (( segid "SF1 " and resid 53   and name HB1 ))
   (( segid "SF1 " and resid 53   and name HA  ))
      2.300     0.600     0.600 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.83277E-02 ppm1      3.986 ppm2      1.728 CV     1
 OR { 1023}
   (( segid "SF1 " and resid 53   and name HB2 ))
   (( segid "SF1 " and resid 53   and name HA  ))
 ASSI { 1024}
   (( segid "SF1 " and resid 53   and name HG2 ))
   (( segid "SF1 " and resid 53   and name HA  ))
      2.300     0.600     0.600 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.66164E-02 ppm1      3.992 ppm2      1.547 CV     1
 ASSI { 1026}
   (( segid "SF1 " and resid 56   and name HB2 ))
   (( segid "SF1 " and resid 56   and name HA  ))
      2.900     1.100     1.100 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.32741E-02 ppm1      3.833 ppm2      1.607 CV     1
 ASSI { 1027}
   (( segid "SF1 " and resid 56   and name HG2 ))
   (( segid "SF1 " and resid 56   and name HA  ))
      2.500     0.800     0.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.36962E-02 ppm1      3.832 ppm2      2.121 CV     1
 ASSI { 1028}
   (( segid "SF1 " and resid 56   and name HB1 ))
   (( segid "SF1 " and resid 56   and name HA  ))
      2.600     0.800     0.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.32398E-02 ppm1      3.831 ppm2      2.021 CV     1
 ASSI { 1029}
   (( segid "SF1 " and resid 56   and name HG1 ))
   (( segid "SF1 " and resid 56   and name HA  ))
      3.600     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.14716E-02 ppm1      3.830 ppm2      2.608 CV     1
 ASSI { 1031}
   (( segid "SF1 " and resid 69   and name HB2 ))
   (( segid "SF1 " and resid 69   and name HB1 ))
      2.000     0.500     0.500 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.60461E-02 ppm1      2.806 ppm2      2.556 CV     1
 ASSI { 1033}
   (( segid "SF1 " and resid 38   and name HB1 ))
   (( segid "SF1 " and resid 38   and name HB2 ))
      2.500     0.800     0.800 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.15686E-02 ppm1      2.538 ppm2      3.601 CV     1
 ASSI { 1040}
   (( segid "SF1 " and resid 61   and name HN  ))
   (( segid "SF1 " and resid 60   and name HB2 ))
      4.300     2.300     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.54073E-03 ppm1      2.975 ppm2      8.433 CV     1
 ASSI { 1041}
   (( segid "SF1 " and resid 61   and name HN  ))
   (( segid "SF1 " and resid 60   and name HB1 ))
      3.800     1.800     1.800 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.12263E-02 ppm1      3.142 ppm2      8.426 CV     1
 ASSI { 1043}
   (( segid "SF1 " and resid 60   and name HN  ))
   (( segid "SF1 " and resid 60   and name HB2 ))
      2.900     1.100     1.100 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.17739E-02 ppm1      2.968 ppm2      8.201 CV     1
 ASSI { 1047}
   (( segid "SF1 " and resid 72   and name HN  ))
   (( segid "SF1 " and resid 75   and name HB1 ))
      4.500     2.500     1.500 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.57038E-03 ppm1      2.363 ppm2      6.683 CV     1
 ASSI { 1048}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.96399E-03 ppm1      2.352 ppm2      8.627 CV     1
 ASSI { 1049}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 75   and name HB2 ))
      2.600     0.800     0.800 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.21390E-02 ppm1      1.809 ppm2      8.627 CV     1
 ASSI { 1051}
   (( segid "SF1 " and resid 56   and name HN  ))
   (( segid "SF1 " and resid 56   and name HB2 ))
      2.700     0.900     0.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.19565E-02 ppm1      1.612 ppm2      8.821 CV     1
 ASSI { 1055}
   (( segid "SF1 " and resid 114  and name HA  ))
   (( segid "SF1 " and resid 114  and name HD1 ))
      3.500     1.500     1.500 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.16998E-02 ppm1      1.626 ppm2      3.903 CV     1
 OR { 1055}
   (( segid "SF1 " and resid 114  and name HA  ))
   (( segid "SF1 " and resid 114  and name HD2 ))
 ASSI { 1056}
   (  segid "SF1 " and resid 42   and name HD2%)
   (( segid "SF1 " and resid 37   and name HA  ))
      3.300     1.400     1.400 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      3.873 ppm2     -0.274 CV     1
 ASSI { 1057}
   (  segid "SF1 " and resid 71   and name HD1%)
   (( segid "SF1 " and resid 69   and name HB1 ))
      3.600     1.600     1.600 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.98111E-03 ppm1      2.812 ppm2      0.428 CV     1
 ASSI { 1058}
   (( segid "SF1 " and resid 82   and name HN  ))
   (( segid "SF1 " and resid 82   and name HB1 ))
      4.100     2.100     1.900 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.79855E-03 ppm1      3.007 ppm2     -0.184 CV     1
 ASSI { 1059}
   (( segid "SF1 " and resid 82   and name HN  ))
   (( segid "SF1 " and resid 82   and name HB2 ))
      2.900     1.100     1.100 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.10781E-02 ppm1      2.798 ppm2     -0.188 CV     1
 ASSI { 1062}
   (( segid "SF1 " and resid 69   and name HB2 ))
   (( segid "SF1 " and resid 82   and name HB1 ))
      3.200     1.300     1.300 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.74721E-03 ppm1      3.007 ppm2      2.542 CV     1
 ASSI { 1065}
   (( segid "SF1 " and resid 82   and name HB1 ))
   (( segid "SF1 " and resid 82   and name HB2 ))
      1.900     0.500     0.500 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.57612E-02 ppm1      2.793 ppm2      2.990 CV     1
 ASSI { 1070}
   (  segid "SF1 " and resid 61   and name HD% )
   (( segid "SF1 " and resid 80   and name HB1 ))
      3.600     1.700     1.700 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.16085E-02 ppm1      0.562 ppm2      7.090 CV     1
 ASSI { 1071}
   (  segid "SF1 " and resid 50   and name HE% )
   (( segid "SF1 " and resid 80   and name HB1 ))
      3.400     1.400     1.400 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.88980E-03 ppm1      0.560 ppm2      7.202 CV     1
 ASSI { 1072}
   (( segid "SF1 " and resid 50   and name HZ  ))
   (( segid "SF1 " and resid 80   and name HB1 ))
      3.500     1.600     1.600 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.63315E-03 ppm1      0.555 ppm2      7.653 CV     1
 ASSI { 1073}
   (( segid "SF1 " and resid 50   and name HZ  ))
   (( segid "SF1 " and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.17511E-02 ppm1      1.677 ppm2      7.644 CV     1
 ASSI { 1074}
   (  segid "SF1 " and resid 50   and name HE% )
   (( segid "SF1 " and resid 80   and name HB2 ))
      3.200     1.300     1.300 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.24014E-02 ppm1      1.673 ppm2      7.219 CV     1
 ASSI { 1075}
   (  segid "SF1 " and resid 61   and name HD% )
   (( segid "SF1 " and resid 80   and name HB2 ))
      3.100     1.200     1.200 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.10495E-02 ppm1      1.662 ppm2      7.100 CV     1
 ASSI { 1077}
   (( segid "SF1 " and resid 80   and name HA  ))
   (( segid "SF1 " and resid 80   and name HB2 ))
      2.800     1.000     1.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.37760E-02 ppm1      1.688 ppm2      3.932 CV     1
 ASSI { 1078}
   (( segid "SF1 " and resid 53   and name HD2 ))
   (( segid "SF1 " and resid 53   and name HB1 ))
      2.700     0.900     0.900 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.38787E-02 ppm1      1.732 ppm2      3.147 CV     1
 OR { 1078}
   (( segid "SF1 " and resid 53   and name HD1 ))
   (( segid "SF1 " and resid 53   and name HB1 ))
 OR { 1078}
   (( segid "SF1 " and resid 53   and name HD2 ))
   (( segid "SF1 " and resid 53   and name HB2 ))
 OR { 1078}
   (( segid "SF1 " and resid 53   and name HD1 ))
   (( segid "SF1 " and resid 53   and name HB2 ))
 ASSI { 1080}
   (( segid "SF1 " and resid 53   and name HE  ))
   (( segid "SF1 " and resid 53   and name HB1 ))
      3.200     1.300     1.300 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.14945E-02 ppm1      1.732 ppm2      7.248 CV     1
 OR { 1080}
   (( segid "SF1 " and resid 53   and name HE  ))
   (( segid "SF1 " and resid 53   and name HB2 ))
 ASSI { 1088}
   (( segid "SF1 " and resid 26   and name HN  ))
   (( segid "SF1 " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.40898E-02 ppm1      1.835 ppm2      8.047 CV     1
 ASSI { 1089}
   (( segid "SF1 " and resid 26   and name HN  ))
   (( segid "SF1 " and resid 25   and name HB1 ))
      2.800     0.900     0.900 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.24527E-02 ppm1      1.973 ppm2      8.059 CV     1
 ASSI { 1090}
   (( segid "SF1 " and resid 117  and name HN  ))
   (( segid "SF1 " and resid 117  and name HB1 ))
      2.800     1.000     1.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.27664E-02 ppm1      1.996 ppm2      8.235 CV     1
 ASSI { 1092}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 117  and name HB1 ))
      4.300     2.300     1.700 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.62746E-03 ppm1      1.981 ppm2      6.707 CV     1
 OR { 1092}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 117  and name HB1 ))
 ASSI { 1093}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 117  and name HB2 ))
      3.700     1.700     1.700 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.45803E-03 ppm1      1.858 ppm2      6.718 CV     1
 OR { 1093}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 117  and name HB2 ))
 ASSI { 1097}
   (( segid "SF1 " and resid 80   and name HB1 ))
   (( segid "SF1 " and resid 80   and name HB2 ))
      1.800     0.400     0.400 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.10895E-01 ppm1      1.672 ppm2      0.554 CV     1
 ASSI { 1098}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 25   and name HB2 ))
      2.700     0.900     0.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.24356E-02 ppm1      1.837 ppm2      0.589 CV     1
 ASSI { 1100}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 25   and name HB1 ))
      2.900     1.000     1.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.22302E-02 ppm1      1.974 ppm2      0.602 CV     1
 ASSI { 1101}
   (  segid "SF1 " and resid 34   and name HG1%)
   (( segid "SF1 " and resid 25   and name HB2 ))
      2.700     0.900     0.900 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.32855E-02 ppm1      1.837 ppm2      0.673 CV     1
 ASSI { 1103}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 86   and name HD2 ))
      3.100     1.200     1.200 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.25497E-02 ppm1      1.737 ppm2      0.841 CV     1
 ASSI { 1108}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 75   and name HB2 ))
      1.600     0.300     0.600 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.22074E-01 ppm1      1.812 ppm2      2.365 CV     1
 OR { 1108}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HB2 ))
 ASSI { 1109}
   (( segid "SF1 " and resid 97   and name HN  ))
   (( segid "SF1 " and resid 97   and name HB  ))
      2.600     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.38274E-02 ppm1      2.110 ppm2      7.686 CV     1
 ASSI { 1110}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 63   and name HB2 ))
      3.300     1.400     1.400 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.74152E-03 ppm1      2.388 ppm2      7.727 CV     1
 ASSI { 1111}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 63   and name HB1 ))
      3.800     1.800     1.800 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.79286E-03 ppm1      2.683 ppm2      7.721 CV     1
 ASSI { 1124}
   (( segid "SF1 " and resid 27   and name HB2 ))
   (( segid "SF1 " and resid 27   and name HB1 ))
      2.300     0.700     0.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.23158E-02 ppm1      3.264 ppm2      2.782 CV     1
 ASSI { 1127}
   (( segid "SF1 " and resid 52   and name HA  ))
   (( segid "SF1 " and resid 52   and name HB2 ))
      3.300     1.300     1.300 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.10666E-02 ppm1      1.844 ppm2      3.442 CV     1
 ASSI { 1129}
   (( segid "SF1 " and resid 52   and name HG1 ))
   (( segid "SF1 " and resid 52   and name HB1 ))
      3.000     1.100     1.100 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.28406E-02 ppm1      2.464 ppm2      1.511 CV     1
 ASSI { 1130}
   (( segid "SF1 " and resid 56   and name HB2 ))
   (( segid "SF1 " and resid 52   and name HB1 ))
      3.000     3.000     3.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.19679E-02 ppm1      2.466 ppm2      1.651 CV     1
 ASSI { 1132}
   (( segid "SF1 " and resid 52   and name HB1 ))
   (( segid "SF1 " and resid 52   and name HB2 ))
      1.800     0.400     0.400 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.87269E-02 ppm1      1.848 ppm2      2.465 CV     1
 ASSI { 1133}
   (( segid "SF1 " and resid 52   and name HE2 ))
   (( segid "SF1 " and resid 52   and name HB1 ))
      2.600     0.900     0.900 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.41297E-02 ppm1      2.469 ppm2      2.667 CV     1
 OR { 1133}
   (( segid "SF1 " and resid 52   and name HE1 ))
   (( segid "SF1 " and resid 52   and name HB1 ))
 ASSI { 1134}
   (( segid "SF1 " and resid 67   and name HG2 ))
   (( segid "SF1 " and resid 63   and name HB2 ))
      2.600     0.800     0.800 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.54987E-02 ppm1      2.394 ppm2      1.871 CV     1
 ASSI { 1135}
   (( segid "SF1 " and resid 67   and name HG1 ))
   (( segid "SF1 " and resid 63   and name HB2 ))
      3.700     1.700     1.700 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.20763E-02 ppm1      2.396 ppm2      2.131 CV     1
 ASSI { 1136}
   (( segid "SF1 " and resid 63   and name HB1 ))
   (( segid "SF1 " and resid 63   and name HB2 ))
      2.100     0.500     0.500 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.56810E-02 ppm1      2.399 ppm2      2.681 CV     1
 ASSI { 1139}
   (( segid "SF1 " and resid 73   and name HE1 ))
   (( segid "SF1 " and resid 73   and name HD2 ))
      2.200     0.600     0.600 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.11123E-01 ppm1      1.593 ppm2      2.949 CV     1
 OR { 1139}
   (( segid "SF1 " and resid 73   and name HE2 ))
   (( segid "SF1 " and resid 73   and name HD1 ))
 OR { 1139}
   (( segid "SF1 " and resid 73   and name HE1 ))
   (( segid "SF1 " and resid 73   and name HD1 ))
 OR { 1139}
   (( segid "SF1 " and resid 73   and name HE2 ))
   (( segid "SF1 " and resid 73   and name HD2 ))
 ASSI { 1142}
   (( segid "SF1 " and resid 77   and name HA  ))
   (( segid "SF1 " and resid 77   and name HD2 ))
      4.000     2.000     2.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.13062E-02 ppm1      1.623 ppm2      4.035 CV     1
 ASSI { 1143}
   (( segid "SF1 " and resid 83   and name HD1 ))
   (( segid "SF1 " and resid 83   and name HB1 ))
      2.600     0.900     0.900 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.20592E-02 ppm1      1.624 ppm2      2.365 CV     1
 ASSI { 1151}
   (( segid "SF1 " and resid 117  and name HD2 ))
   (( segid "SF1 " and resid 117  and name HB1 ))
      3.500     1.600     1.600 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.10381E-02 ppm1      1.993 ppm2      3.176 CV     1
 ASSI { 1152}
   (( segid "SF1 " and resid 78   and name HD2 ))
   (( segid "SF1 " and resid 78   and name HB2 ))
      2.700     0.900     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.33083E-02 ppm1      1.928 ppm2      3.223 CV     1
 OR { 1152}
   (( segid "SF1 " and resid 78   and name HD2 ))
   (( segid "SF1 " and resid 78   and name HB1 ))
 OR { 1152}
   (( segid "SF1 " and resid 78   and name HD1 ))
   (( segid "SF1 " and resid 78   and name HB2 ))
 OR { 1152}
   (( segid "SF1 " and resid 78   and name HD1 ))
   (( segid "SF1 " and resid 78   and name HB1 ))
 ASSI { 1154}
   (( segid "SF1 " and resid 78   and name HA  ))
   (( segid "SF1 " and resid 78   and name HB2 ))
      2.400     0.700     0.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.66738E-02 ppm1      1.904 ppm2      4.019 CV     1
 OR { 1154}
   (( segid "SF1 " and resid 78   and name HA  ))
   (( segid "SF1 " and resid 78   and name HB1 ))
 ASSI { 1157}
   (  segid "SF1 " and resid 55   and name HG1%)
   (( segid "SF1 " and resid 97   and name HB  ))
      2.500     0.800     0.800 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.97537E-02 ppm1      2.106 ppm2      0.787 CV     1
 ASSI { 1159}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 90   and name HB  ))
      2.000     0.500     0.500 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.14317E-01 ppm1      2.344 ppm2      0.907 CV     1
 OR { 1159}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 90   and name HB  ))
 ASSI { 1160}
   (( segid "SF1 " and resid 69   and name HB2 ))
   (( segid "SF1 " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.36335E-02 ppm1      2.794 ppm2      2.559 CV     1
 OR { 1160}
   (( segid "SF1 " and resid 69   and name HB2 ))
   (( segid "SF1 " and resid 79   and name HB1 ))
 ASSI { 1161}
   (( segid "SF1 " and resid 74   and name HN  ))
   (( segid "SF1 " and resid 73   and name HA  ))
      3.600     1.600     1.600 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.62746E-03 ppm1      3.791 ppm2      7.871 CV     1
 ASSI { 1162}
   (( segid "SF1 " and resid 73   and name HN  ))
   (( segid "SF1 " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.24926E-02 ppm1      3.795 ppm2      8.208 CV     1
 ASSI { 1163}
   (( segid "SF1 " and resid 52   and name HN  ))
   (( segid "SF1 " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.20420E-02 ppm1      2.469 ppm2      7.934 CV     1
 ASSI { 1167}
   (( segid "SF1 " and resid 108  and name HA  ))
   (( segid "SF1 " and resid 108  and name HB1 ))
      2.800     1.000     1.000 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.26923E-02 ppm1      1.674 ppm2      4.121 CV     1
 ASSI { 1168}
   (( segid "SF1 " and resid 108  and name HA  ))
   (( segid "SF1 " and resid 108  and name HB2 ))
      3.000     1.100     1.100 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.16028E-02 ppm1      1.616 ppm2      4.122 CV     1
 ASSI { 1169}
   (( segid "SF1 " and resid 108  and name HG1 ))
   (( segid "SF1 " and resid 108  and name HB1 ))
      3.100     1.200     1.200 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.24356E-02 ppm1      1.677 ppm2      1.078 CV     1
 ASSI { 1171}
   (( segid "SF1 " and resid 108  and name HG2 ))
   (( segid "SF1 " and resid 108  and name HB1 ))
      2.600     0.800     0.800 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.28235E-02 ppm1      1.673 ppm2      0.665 CV     1
 ASSI { 1174}
   (  segid "SF1 " and resid 55   and name HG2%)
   (( segid "SF1 " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.41639E-03 ppm1      3.454 ppm2      0.261 CV     1
 ASSI { 1175}
   (  segid "SF1 " and resid 97   and name HG2%)
   (( segid "SF1 " and resid 52   and name HA  ))
      2.900     1.100     1.100 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.20363E-02 ppm1      3.453 ppm2      0.630 CV     1
 ASSI { 1176}
   (  segid "SF1 " and resid 97   and name HG1%)
   (( segid "SF1 " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.13804E-02 ppm1      3.455 ppm2      0.812 CV     1
 ASSI { 1177}
   (( segid "SF1 " and resid 52   and name HG2 ))
   (( segid "SF1 " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.11123E-02 ppm1      3.453 ppm2      1.027 CV     1
 ASSI { 1180}
   (( segid "SF1 " and resid 52   and name HB1 ))
   (( segid "SF1 " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.17397E-02 ppm1      3.449 ppm2      2.468 CV     1
 ASSI { 1181}
   (( segid "SF1 " and resid 56   and name HG1 ))
   (( segid "SF1 " and resid 52   and name HA  ))
      3.300     1.300     1.300 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.80997E-03 ppm1      3.464 ppm2      2.653 CV     1
 ASSI { 1182}
   (  segid "SF1 " and resid 71   and name HD1%)
   (( segid "SF1 " and resid 83   and name HA  ))
      2.900     1.000     1.000 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.13918E-02 ppm1      3.721 ppm2      0.439 CV     1
 ASSI { 1183}
   (  segid "SF1 " and resid 71   and name HG2%)
   (( segid "SF1 " and resid 83   and name HA  ))
      3.400     1.400     1.400 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.11009E-02 ppm1      3.721 ppm2      0.512 CV     1
 ASSI { 1185}
   (( segid "SF1 " and resid 83   and name HG1 ))
   (( segid "SF1 " and resid 83   and name HA  ))
      3.300     1.400     1.400 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.57612E-03 ppm1      3.725 ppm2      1.175 CV     1
 ASSI { 1186}
   (( segid "SF1 " and resid 83   and name HB2 ))
   (( segid "SF1 " and resid 83   and name HA  ))
      2.500     0.800     0.800 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.32855E-02 ppm1      3.722 ppm2      1.565 CV     1
 OR { 1186}
   (( segid "SF1 " and resid 83   and name HB1 ))
   (( segid "SF1 " and resid 83   and name HA  ))
 ASSI { 1188}
   (( segid "SF1 " and resid 48   and name HB2 ))
   (( segid "SF1 " and resid 48   and name HA  ))
      2.900     1.000     1.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.15058E-02 ppm1      3.943 ppm2      1.198 CV     1
 ASSI { 1190}
   (( segid "SF1 " and resid 117  and name HB1 ))
   (( segid "SF1 " and resid 117  and name HA  ))
      2.700     0.900     0.900 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.41753E-02 ppm1      4.028 ppm2      1.983 CV     1
 ASSI { 1194}
   (  segid "SF1 " and resid 89   and name HG2%)
   (( segid "SF1 " and resid 86   and name HA  ))
      4.500     2.500     1.500 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.39129E-03 ppm1      4.167 ppm2      1.236 CV     1
 ASSI { 1195}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (( segid "SF1 " and resid 86   and name HA  ))
      3.000     1.100     1.100 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.17853E-02 ppm1      4.177 ppm2      1.460 CV     1
 OR { 1195}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (( segid "SF1 " and resid 86   and name HA  ))
 ASSI { 1196}
   (( segid "SF1 " and resid 86   and name HB2 ))
   (( segid "SF1 " and resid 86   and name HA  ))
      3.300     1.300     1.300 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.69587E-03 ppm1      4.172 ppm2      1.835 CV     1
 OR { 1196}
   (( segid "SF1 " and resid 86   and name HD1 ))
   (( segid "SF1 " and resid 86   and name HA  ))
 ASSI { 1197}
   (( segid "SF1 " and resid 86   and name HB1 ))
   (( segid "SF1 " and resid 86   and name HA  ))
      3.900     1.900     1.900 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.46944E-03 ppm1      4.168 ppm2      2.191 CV     1
 ASSI { 1198}
   (( segid "SF1 " and resid 76   and name HG2 ))
   (( segid "SF1 " and resid 73   and name HA  ))
      3.600     1.700     1.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.70729E-03 ppm1      3.791 ppm2      1.187 CV     1
 OR { 1198}
   (( segid "SF1 " and resid 76   and name HB2 ))
   (( segid "SF1 " and resid 73   and name HA  ))
 ASSI { 1199}
   (( segid "SF1 " and resid 73   and name HG2 ))
   (( segid "SF1 " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.25896E-02 ppm1      3.793 ppm2      1.370 CV     1
 OR { 1199}
   (( segid "SF1 " and resid 73   and name HG1 ))
   (( segid "SF1 " and resid 73   and name HA  ))
 ASSI { 1200}
   (( segid "SF1 " and resid 73   and name HD2 ))
   (( segid "SF1 " and resid 73   and name HA  ))
      3.900     1.900     1.900 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.78143E-03 ppm1      3.797 ppm2      1.591 CV     1
 OR { 1200}
   (( segid "SF1 " and resid 73   and name HD1 ))
   (( segid "SF1 " and resid 73   and name HA  ))
 ASSI { 1201}
   (( segid "SF1 " and resid 73   and name HB1 ))
   (( segid "SF1 " and resid 73   and name HA  ))
      2.400     0.700     0.700 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.55159E-02 ppm1      3.793 ppm2      1.792 CV     1
 OR { 1201}
   (( segid "SF1 " and resid 73   and name HB2 ))
   (( segid "SF1 " and resid 73   and name HA  ))
 ASSI { 1202}
   (( segid "SF1 " and resid 76   and name HD2 ))
   (( segid "SF1 " and resid 73   and name HA  ))
      3.800     1.800     1.800 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.10438E-02 ppm1      3.792 ppm2      2.711 CV     1
 ASSI { 1203}
   (( segid "SF1 " and resid 76   and name HD1 ))
   (( segid "SF1 " and resid 73   and name HA  ))
      2.600     0.900     0.900 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.20534E-02 ppm1      3.792 ppm2      2.935 CV     1
 ASSI { 1205}
   (( segid "SF1 " and resid 44   and name HN  ))
   (( segid "SF1 " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.19964E-02 ppm1      5.150 ppm2      8.826 CV     1
 ASSI { 1206}
   (  segid "SF1 " and resid 43   and name HG2%)
   (( segid "SF1 " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.24299E-02 ppm1      5.144 ppm2      1.326 CV     1
 ASSI { 1208}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.16655E-02 ppm1      5.149 ppm2      0.603 CV     1
 ASSI { 1211}
   (( segid "SF1 " and resid 62   and name HB  ))
   (( segid "SF1 " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.13747E-02 ppm1      4.309 ppm2      3.839 CV     1
 ASSI { 1213}
   (( segid "SF1 " and resid 15   and name HN  ))
   (( segid "SF1 " and resid 15   and name HA  ))
      4.100     2.100     1.900 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.27151E-03 ppm1      4.301 ppm2      7.892 CV     1
 ASSI { 1217}
   (( segid "SF1 " and resid 70   and name HN  ))
   (( segid "SF1 " and resid 69   and name HA  ))
      2.200     0.600     0.600 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.89554E-02 ppm1      3.849 ppm2      8.308 CV     1
 ASSI { 1218}
   (( segid "SF1 " and resid 50   and name HN  ))
   (( segid "SF1 " and resid 50   and name HA  ))
      3.300     1.400     1.400 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.84420E-03 ppm1      4.001 ppm2      8.552 CV     1
 ASSI { 1219}
   (( segid "SF1 " and resid 51   and name HN  ))
   (( segid "SF1 " and resid 50   and name HA  ))
      3.900     1.900     1.900 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.41126E-03 ppm1      4.004 ppm2      9.079 CV     1
 ASSI { 1220}
   (( segid "SF1 " and resid 53   and name HG1 ))
   (( segid "SF1 " and resid 50   and name HA  ))
      3.600     1.600     1.600 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.49625E-03 ppm1      4.002 ppm2      1.591 CV     1
 ASSI { 1221}
   (( segid "SF1 " and resid 53   and name HB2 ))
   (( segid "SF1 " and resid 50   and name HA  ))
      3.800     1.800     1.800 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.32855E-03 ppm1      4.003 ppm2      1.722 CV     1
 OR { 1221}
   (( segid "SF1 " and resid 53   and name HB1 ))
   (( segid "SF1 " and resid 50   and name HA  ))
 ASSI { 1222}
   (( segid "SF1 " and resid 50   and name HB2 ))
   (( segid "SF1 " and resid 50   and name HA  ))
      3.500     1.500     1.500 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.43750E-03 ppm1      3.999 ppm2      2.932 CV     1
 ASSI { 1223}
   (( segid "SF1 " and resid 50   and name HB1 ))
   (( segid "SF1 " and resid 50   and name HA  ))
      3.600     1.600     1.600 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.10039E-02 ppm1      3.997 ppm2      3.322 CV     1
 ASSI { 1224}
   (( segid "SF1 " and resid 70   and name HB1 ))
   (( segid "SF1 " and resid 69   and name HA  ))
      4.100     2.100     1.900 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.12549E-02 ppm1      3.849 ppm2      1.633 CV     1
 OR { 1224}
   (( segid "SF1 " and resid 70   and name HB2 ))
   (( segid "SF1 " and resid 69   and name HA  ))
 ASSI { 1225}
   (( segid "SF1 " and resid 69   and name HB2 ))
   (( segid "SF1 " and resid 69   and name HA  ))
      3.400     1.400     1.400 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.16884E-02 ppm1      3.851 ppm2      2.553 CV     1
 ASSI { 1226}
   (( segid "SF1 " and resid 69   and name HB1 ))
   (( segid "SF1 " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.27664E-02 ppm1      3.849 ppm2      2.807 CV     1
 ASSI { 1228}
   (( segid "SF1 " and resid 28   and name HB2 ))
   (( segid "SF1 " and resid 28   and name HB1 ))
      1.700     0.400     0.500 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.19108E-01 ppm1      2.410 ppm2      1.867 CV     1
 OR { 1228}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (( segid "SF1 " and resid 28   and name HB1 ))
 ASSI { 1229}
   (( segid "SF1 " and resid 28   and name HB1 ))
   (( segid "SF1 " and resid 28   and name HB2 ))
      1.700     0.400     0.500 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.14602E-01 ppm1      1.881 ppm2      2.402 CV     1
 ASSI { 1230}
   (( segid "SF1 " and resid 28   and name HG1 ))
   (( segid "SF1 " and resid 28   and name HB2 ))
      2.700     0.900     0.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.44206E-02 ppm1      1.880 ppm2      2.269 CV     1
 ASSI { 1231}
   (( segid "SF1 " and resid 48   and name HE1 ))
   (( segid "SF1 " and resid 48   and name HD1 ))
      3.500     1.500     1.500 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.58181E-03 ppm1      1.187 ppm2      2.849 CV     1
 ASSI { 1233}
   (( segid "SF1 " and resid 48   and name HD2 ))
   (( segid "SF1 " and resid 48   and name HD1 ))
      2.200     0.600     0.600 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.28805E-02 ppm1      1.191 ppm2      0.431 CV     1
 ASSI { 1237}
   (  segid "SF1 " and resid 41   and name HD1%)
   (( segid "SF1 " and resid 28   and name HB2 ))
      3.300     1.400     1.400 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.22702E-02 ppm1      1.875 ppm2      0.740 CV     1
 ASSI { 1238}
   (  segid "SF1 " and resid 41   and name HD1%)
   (( segid "SF1 " and resid 28   and name HB1 ))
      4.300     2.300     1.700 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.52991E-03 ppm1      2.407 ppm2      0.742 CV     1
 ASSI { 1243}
   (( segid "SF1 " and resid 70   and name HG2 ))
   (( segid "SF1 " and resid 70   and name HB1 ))
      2.300     0.700     0.700 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.79855E-02 ppm1      1.646 ppm2      1.178 CV     1
 OR { 1243}
   (( segid "SF1 " and resid 70   and name HG2 ))
   (( segid "SF1 " and resid 70   and name HB2 ))
 ASSI { 1245}
   (( segid "SF1 " and resid 48   and name HB2 ))
   (( segid "SF1 " and resid 48   and name HB1 ))
      2.200     0.600     0.600 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.32855E-02 ppm1      1.752 ppm2      1.194 CV     1
 ASSI { 1257}
   (( segid "SF1 " and resid 113  and name HN  ))
   (( segid "SF1 " and resid 112  and name HG1 ))
      3.100     1.200     1.200 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.78143E-03 ppm1      2.061 ppm2      7.741 CV     1
 ASSI { 1258}
   (( segid "SF1 " and resid 113  and name HN  ))
   (( segid "SF1 " and resid 112  and name HG2 ))
      3.600     1.600     1.600 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.81566E-03 ppm1      2.005 ppm2      7.749 CV     1
 ASSI { 1260}
   (( segid "SF1 " and resid 70   and name HN  ))
   (( segid "SF1 " and resid 70   and name HB1 ))
      2.400     0.700     0.700 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.52707E-02 ppm1      1.671 ppm2      8.317 CV     1
 OR { 1260}
   (( segid "SF1 " and resid 70   and name HN  ))
   (( segid "SF1 " and resid 70   and name HB2 ))
 ASSI { 1262}
   (( segid "SF1 " and resid 59   and name HB2 ))
   (( segid "SF1 " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.37418E-02 ppm1      3.743 ppm2      1.002 CV     1
 ASSI { 1276}
   (( segid "SF1 " and resid 26   and name HB2 ))
   (( segid "SF1 " and resid 31   and name HA2 ))
      3.700     1.700     1.700 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.77006E-03 ppm1      3.755 ppm2      1.165 CV     1
 ASSI { 1278}
   (( segid "SF1 " and resid 105  and name HA1 ))
   (( segid "SF1 " and resid 105  and name HA2 ))
      3.000     3.000     3.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.69018E-03 ppm1      3.005 ppm2      3.817 CV     1
 ASSI { 1282}
   (( segid "SF1 " and resid 106  and name HN  ))
   (( segid "SF1 " and resid 105  and name HA1 ))
      2.800     1.000     1.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.31144E-02 ppm1      3.816 ppm2      7.853 CV     1
 ASSI { 1284}
   (( segid "SF1 " and resid 105  and name HN  ))
   (( segid "SF1 " and resid 105  and name HA2 ))
      4.000     2.000     2.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.36220E-03 ppm1      3.010 ppm2      8.568 CV     1
 ASSI { 1290}
   (  segid "SF1 " and resid 11   and name HG1%)
   (( segid "SF1 " and resid 10   and name HA2 ))
      4.700     2.700     1.300 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.26067E-03 ppm1      3.965 ppm2      0.847 CV     1
 OR { 1290}
   (  segid "SF1 " and resid 11   and name HG1%)
   (( segid "SF1 " and resid 10   and name HA1 ))
 OR { 1290}
   (  segid "SF1 " and resid 11   and name HG2%)
   (( segid "SF1 " and resid 10   and name HA1 ))
 OR { 1290}
   (  segid "SF1 " and resid 11   and name HG2%)
   (( segid "SF1 " and resid 10   and name HA2 ))
 ASSI { 1292}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 91   and name HA2 ))
      4.500     2.500     1.500 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.59324E-03 ppm1      3.598 ppm2      0.892 CV     1
 ASSI { 1293}
   (  segid "SF1 " and resid 41   and name HD1%)
   (( segid "SF1 " and resid 91   and name HA2 ))
      4.300     2.300     1.700 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.99822E-03 ppm1      3.605 ppm2      0.736 CV     1
 ASSI { 1298}
   (  segid "SF1 " and resid 41   and name HD1%)
   (( segid "SF1 " and resid 91   and name HA1 ))
      2.800     1.000     1.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.20477E-02 ppm1      4.438 ppm2      0.722 CV     1
 OR { 1298}
   (  segid "SF1 " and resid 41   and name HD2%)
   (( segid "SF1 " and resid 91   and name HA1 ))
 ASSI { 1299}
   (( segid "SF1 " and resid 91   and name HA2 ))
   (( segid "SF1 " and resid 91   and name HA1 ))
      2.000     0.500     0.500 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.71298E-02 ppm1      4.438 ppm2      3.596 CV     1
 ASSI { 1302}
   (( segid "SF1 " and resid 40   and name HN  ))
   (( segid "SF1 " and resid 40   and name HA2 ))
      3.200     1.300     1.300 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.12663E-02 ppm1      3.236 ppm2      8.366 CV     1
 ASSI { 1305}
   (( segid "SF1 " and resid 76   and name HG2 ))
   (( segid "SF1 " and resid 76   and name HD2 ))
      3.500     1.500     1.500 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.91265E-03 ppm1      2.713 ppm2      1.153 CV     1
 ASSI { 1306}
   (( segid "SF1 " and resid 42   and name HN  ))
   (( segid "SF1 " and resid 41   and name HB1 ))
      3.500     1.500     1.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.10381E-02 ppm1      1.755 ppm2      8.152 CV     1
 ASSI { 1310}
   (  segid "SF1 " and resid 41   and name HD1%)
   (( segid "SF1 " and resid 41   and name HB2 ))
      2.600     0.900     0.900 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.30402E-02 ppm1      1.566 ppm2      0.744 CV     1
 ASSI { 1321}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 117  and name HD1 ))
      2.700     0.900     0.900 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.45005E-02 ppm1      3.256 ppm2      6.716 CV     1
 OR { 1321}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 117  and name HD1 ))
 ASSI { 1322}
   (( segid "SF1 " and resid 115  and name HN  ))
   (( segid "SF1 " and resid 115  and name HD2 ))
      3.900     1.900     1.900 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.11921E-02 ppm1      3.171 ppm2      7.828 CV     1
 OR { 1322}
   (( segid "SF1 " and resid 115  and name HN  ))
   (( segid "SF1 " and resid 115  and name HD1 ))
 ASSI { 1325}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 117  and name HD2 ))
      2.600     2.600     3.400 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.41639E-02 ppm1      3.158 ppm2      6.719 CV     1
 OR { 1325}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 117  and name HD2 ))
 ASSI { 1328}
   (( segid "SF1 " and resid 117  and name HG2 ))
   (( segid "SF1 " and resid 117  and name HD1 ))
      2.100     0.500     0.500 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.11408E-01 ppm1      3.245 ppm2      1.643 CV     1
 ASSI { 1329}
   (( segid "SF1 " and resid 101  and name HB2 ))
   (( segid "SF1 " and resid 101  and name HD1 ))
      2.400     0.700     0.700 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.66164E-02 ppm1      3.283 ppm2      1.525 CV     1
 ASSI { 1330}
   (( segid "SF1 " and resid 101  and name HG1 ))
   (( segid "SF1 " and resid 101  and name HD1 ))
      2.700     0.900     0.900 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.24983E-02 ppm1      3.285 ppm2      2.148 CV     1
 ASSI { 1331}
   (( segid "SF1 " and resid 101  and name HG1 ))
   (( segid "SF1 " and resid 101  and name HD2 ))
      2.600     0.800     0.800 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.28064E-02 ppm1      3.150 ppm2      2.144 CV     1
 ASSI { 1333}
   (( segid "SF1 " and resid 115  and name HG2 ))
   (( segid "SF1 " and resid 115  and name HD1 ))
      2.000     0.500     0.500 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.18538E-01 ppm1      3.168 ppm2      1.577 CV     1
 OR { 1333}
   (( segid "SF1 " and resid 115  and name HG2 ))
   (( segid "SF1 " and resid 115  and name HD2 ))
 ASSI { 1334}
   (( segid "SF1 " and resid 115  and name HG1 ))
   (( segid "SF1 " and resid 115  and name HD2 ))
      2.100     0.500     0.500 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.13918E-01 ppm1      3.167 ppm2      1.727 CV     1
 OR { 1334}
   (( segid "SF1 " and resid 115  and name HG1 ))
   (( segid "SF1 " and resid 115  and name HD1 ))
 ASSI { 1335}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 115  and name HD1 ))
      2.800     1.000     1.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.10096E-02 ppm1      3.173 ppm2      0.898 CV     1
 OR { 1335}
   (  segid "SF1 " and resid 119  and name HD2%)
   (( segid "SF1 " and resid 115  and name HD2 ))
 OR { 1335}
   (  segid "SF1 " and resid 119  and name HD2%)
   (( segid "SF1 " and resid 115  and name HD1 ))
 ASSI { 1337}
   (( segid "SF1 " and resid 83   and name HG1 ))
   (( segid "SF1 " and resid 83   and name HD1 ))
      3.700     1.700     1.700 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.78143E-03 ppm1      2.397 ppm2      1.190 CV     1
 ASSI { 1338}
   (( segid "SF1 " and resid 83   and name HD2 ))
   (( segid "SF1 " and resid 83   and name HD1 ))
      2.300     0.600     0.600 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.21447E-02 ppm1      2.394 ppm2      0.800 CV     1
 ASSI { 1339}
   (  segid "SF1 " and resid 50   and name HD% )
   (( segid "SF1 " and resid 83   and name HD1 ))
      3.400     1.400     1.400 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.64452E-03 ppm1      2.369 ppm2      7.603 CV     1
 ASSI { 1340}
   (( segid "SF1 " and resid 26   and name HN  ))
   (( segid "SF1 " and resid 26   and name HB1 ))
      3.600     1.600     1.600 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.16884E-02 ppm1      1.610 ppm2      8.064 CV     1
 ASSI { 1341}
   (( segid "SF1 " and resid 26   and name HB2 ))
   (( segid "SF1 " and resid 26   and name HB1 ))
      1.800     0.400     0.400 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.92977E-02 ppm1      1.610 ppm2      1.153 CV     1
 ASSI { 1342}
   (  segid "SF1 " and resid 26   and name HD1%)
   (( segid "SF1 " and resid 26   and name HB1 ))
      2.700     0.900     0.900 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.38559E-02 ppm1      1.607 ppm2      0.876 CV     1
 ASSI { 1343}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 26   and name HB1 ))
      2.800     1.000     1.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.23443E-02 ppm1      1.607 ppm2      0.727 CV     1
 ASSI { 1345}
   (( segid "SF1 " and resid 26   and name HB1 ))
   (( segid "SF1 " and resid 26   and name HB2 ))
      1.900     0.500     0.500 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.86131E-02 ppm1      1.157 ppm2      1.598 CV     1
 OR { 1345}
   (( segid "SF1 " and resid 26   and name HG  ))
   (( segid "SF1 " and resid 26   and name HB2 ))
 ASSI { 1346}
   (  segid "SF1 " and resid 26   and name HD1%)
   (( segid "SF1 " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.26467E-02 ppm1      1.156 ppm2      0.877 CV     1
 ASSI { 1349}
   (( segid "SF1 " and resid 36   and name HA2 ))
   (( segid "SF1 " and resid 36   and name HA1 ))
      2.300     0.700     0.700 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.34338E-02 ppm1      4.212 ppm2      3.325 CV     1
 ASSI { 1352}
   (( segid "SF1 " and resid 83   and name HB1 ))
   (( segid "SF1 " and resid 83   and name HD2 ))
      3.600     1.600     1.600 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.66164E-03 ppm1      0.826 ppm2      1.584 CV     1
 ASSI { 1353}
   (( segid "SF1 " and resid 78   and name HN  ))
   (( segid "SF1 " and resid 78   and name HD2 ))
      3.800     1.800     1.800 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.13404E-02 ppm1      3.238 ppm2      7.597 CV     1
 OR { 1353}
   (( segid "SF1 " and resid 78   and name HN  ))
   (( segid "SF1 " and resid 78   and name HD1 ))
 ASSI { 1355}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 78   and name HD2 ))
      2.800     1.000     1.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.22816E-02 ppm1      3.238 ppm2      2.347 CV     1
 OR { 1355}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 78   and name HD1 ))
 OR { 1355}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HD1 ))
 ASSI { 1361}
   (  segid "SF1 " and resid 94   and name HD1%)
   (( segid "SF1 " and resid 94   and name HB2 ))
      2.300     0.600     0.600 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.72440E-02 ppm1      1.553 ppm2      0.983 CV     1
 ASSI { 1362}
   (( segid "SF1 " and resid 94   and name HN  ))
   (( segid "SF1 " and resid 94   and name HB1 ))
      3.300     1.400     1.400 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.14716E-02 ppm1      1.813 ppm2      8.830 CV     1
 ASSI { 1365}
   (( segid "SF1 " and resid 119  and name HN  ))
   (( segid "SF1 " and resid 119  and name HB1 ))
      2.500     2.500     3.500 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.50423E-02 ppm1      1.856 ppm2      7.953 CV     1
 ASSI { 1368}
   (( segid "SF1 " and resid 119  and name HA  ))
   (( segid "SF1 " and resid 119  and name HB2 ))
      3.000     1.100     1.100 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.20135E-02 ppm1      1.618 ppm2      4.133 CV     1
 ASSI { 1369}
   (( segid "SF1 " and resid 119  and name HA  ))
   (( segid "SF1 " and resid 119  and name HB1 ))
      3.300     1.400     1.400 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.79855E-03 ppm1      1.855 ppm2      4.130 CV     1
 ASSI { 1371}
   (  segid "SF1 " and resid 119  and name HD2%)
   (( segid "SF1 " and resid 119  and name HB1 ))
      2.400     0.700     0.700 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.66738E-02 ppm1      1.853 ppm2      0.891 CV     1
 OR { 1371}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 119  and name HB1 ))
 ASSI { 1372}
   (( segid "SF1 " and resid 119  and name HB2 ))
   (( segid "SF1 " and resid 119  and name HB1 ))
      1.600     0.300     0.600 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.22531E-01 ppm1      1.856 ppm2      1.604 CV     1
 ASSI { 1374}
   (( segid "SF1 " and resid 42   and name HB2 ))
   (( segid "SF1 " and resid 42   and name HB1 ))
      1.900     0.500     0.500 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.70160E-02 ppm1      1.710 ppm2      0.883 CV     1
 ASSI { 1375}
   (( segid "SF1 " and resid 42   and name HG  ))
   (( segid "SF1 " and resid 42   and name HB1 ))
      2.700     0.900     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.24185E-02 ppm1      1.706 ppm2      1.103 CV     1
 ASSI { 1376}
   (  segid "SF1 " and resid 42   and name HD2%)
   (( segid "SF1 " and resid 42   and name HB1 ))
      3.200     1.300     1.300 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.12492E-02 ppm1      1.698 ppm2     -0.281 CV     1
 ASSI { 1377}
   (  segid "SF1 " and resid 42   and name HD2%)
   (( segid "SF1 " and resid 42   and name HB2 ))
      3.300     1.400     1.400 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      0.883 ppm2     -0.265 CV     1
 ASSI { 1381}
   (( segid "SF1 " and resid 88   and name HB2 ))
   (( segid "SF1 " and resid 88   and name HB1 ))
      2.000     0.500     0.500 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.59892E-02 ppm1      1.799 ppm2      1.326 CV     1
 ASSI { 1383}
   (( segid "SF1 " and resid 42   and name HN  ))
   (( segid "SF1 " and resid 42   and name HB1 ))
      4.000     2.000     2.000 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.10952E-02 ppm1      1.704 ppm2      8.151 CV     1
 ASSI { 1387}
   (( segid "SF1 " and resid 88   and name HG  ))
   (( segid "SF1 " and resid 88   and name HB2 ))
      2.700     0.900     0.900 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.30744E-02 ppm1      1.339 ppm2      1.159 CV     1
 ASSI { 1390}
   (( segid "SF1 " and resid 89   and name HN  ))
   (( segid "SF1 " and resid 88   and name HB1 ))
      3.800     1.800     1.800 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.94114E-03 ppm1      1.799 ppm2      8.604 CV     1
 ASSI { 1392}
   (( segid "SF1 " and resid 88   and name HG  ))
   (( segid "SF1 " and resid 88   and name HB1 ))
      2.700     0.900     0.900 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.26124E-02 ppm1      1.803 ppm2      1.155 CV     1
 ASSI { 1394}
   (( segid "SF1 " and resid 93   and name HE  ))
   (( segid "SF1 " and resid 93   and name HD2 ))
      3.000     1.100     1.100 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      2.856 ppm2      7.382 CV     1
 ASSI { 1395}
   (( segid "SF1 " and resid 93   and name HE  ))
   (( segid "SF1 " and resid 93   and name HD1 ))
      3.100     1.200     1.200 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.13632E-02 ppm1      3.010 ppm2      7.387 CV     1
 ASSI { 1397}
   (( segid "SF1 " and resid 93   and name HG1 ))
   (( segid "SF1 " and resid 93   and name HD2 ))
      2.400     0.700     0.700 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.41867E-02 ppm1      2.857 ppm2      1.809 CV     1
 ASSI { 1398}
   (( segid "SF1 " and resid 93   and name HG2 ))
   (( segid "SF1 " and resid 93   and name HD2 ))
      2.700     0.900     0.900 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.37019E-02 ppm1      2.856 ppm2      1.460 CV     1
 OR { 1398}
   (( segid "SF1 " and resid 93   and name HB2 ))
   (( segid "SF1 " and resid 93   and name HD2 ))
 ASSI { 1400}
   (( segid "SF1 " and resid 123  and name HD2 ))
   (( segid "SF1 " and resid 123  and name HE1 ))
      2.000     0.500     0.500 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.18538E-01 ppm1      3.029 ppm2      1.707 CV     1
 OR { 1400}
   (( segid "SF1 " and resid 123  and name HD1 ))
   (( segid "SF1 " and resid 123  and name HE2 ))
 OR { 1400}
   (( segid "SF1 " and resid 123  and name HD1 ))
   (( segid "SF1 " and resid 123  and name HE1 ))
 OR { 1400}
   (( segid "SF1 " and resid 123  and name HD2 ))
   (( segid "SF1 " and resid 123  and name HE2 ))
 ASSI { 1401}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (( segid "SF1 " and resid 86   and name HE2 ))
      2.800     1.000     1.000 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.24869E-02 ppm1      3.104 ppm2      1.450 CV     1
 OR { 1401}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (( segid "SF1 " and resid 86   and name HE2 ))
 ASSI { 1402}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (( segid "SF1 " and resid 86   and name HE1 ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.25554E-02 ppm1      3.263 ppm2      1.471 CV     1
 OR { 1402}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (( segid "SF1 " and resid 86   and name HE1 ))
 ASSI { 1403}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 93   and name HD1 ))
      3.500     1.600     1.600 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.10609E-02 ppm1      3.005 ppm2      7.150 CV     1
 OR { 1403}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 93   and name HD1 ))
 ASSI { 1404}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 93   and name HD2 ))
      3.700     1.700     1.700 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.57612E-03 ppm1      2.857 ppm2      7.155 CV     1
 OR { 1404}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 93   and name HD2 ))
 ASSI { 1406}
   (( segid "SF1 " and resid 86   and name HD2 ))
   (( segid "SF1 " and resid 86   and name HE1 ))
      2.400     0.700     0.700 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.39414E-02 ppm1      3.261 ppm2      1.739 CV     1
 ASSI { 1407}
   (( segid "SF1 " and resid 73   and name HG2 ))
   (( segid "SF1 " and resid 73   and name HE2 ))
      2.300     0.600     0.600 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.12092E-01 ppm1      2.970 ppm2      1.388 CV     1
 OR { 1407}
   (( segid "SF1 " and resid 73   and name HG1 ))
   (( segid "SF1 " and resid 73   and name HE2 ))
 OR { 1407}
   (( segid "SF1 " and resid 73   and name HG2 ))
   (( segid "SF1 " and resid 73   and name HE1 ))
 OR { 1407}
   (( segid "SF1 " and resid 73   and name HG1 ))
   (( segid "SF1 " and resid 73   and name HE1 ))
 ASSI { 1409}
   (( segid "SF1 " and resid 70   and name HG2 ))
   (( segid "SF1 " and resid 70   and name HE2 ))
      2.600     0.800     0.800 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.42894E-02 ppm1      2.928 ppm2      1.178 CV     1
 OR { 1409}
   (( segid "SF1 " and resid 70   and name HG2 ))
   (( segid "SF1 " and resid 70   and name HE1 ))
 ASSI { 1410}
   (( segid "SF1 " and resid 108  and name HD1 ))
   (( segid "SF1 " and resid 108  and name HE1 ))
      2.300     0.700     0.700 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.69018E-02 ppm1      2.742 ppm2      1.435 CV     1
 OR { 1410}
   (( segid "SF1 " and resid 108  and name HD2 ))
   (( segid "SF1 " and resid 108  and name HE2 ))
 OR { 1410}
   (( segid "SF1 " and resid 108  and name HD2 ))
   (( segid "SF1 " and resid 108  and name HE1 ))
 OR { 1410}
   (( segid "SF1 " and resid 108  and name HD1 ))
   (( segid "SF1 " and resid 108  and name HE2 ))
 ASSI { 1414}
   (( segid "SF1 " and resid 108  and name HG1 ))
   (( segid "SF1 " and resid 108  and name HE2 ))
      3.000     1.100     1.100 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.23272E-02 ppm1      2.740 ppm2      1.066 CV     1
 OR { 1414}
   (( segid "SF1 " and resid 108  and name HG1 ))
   (( segid "SF1 " and resid 108  and name HE1 ))
 ASSI { 1415}
   (( segid "SF1 " and resid 108  and name HG2 ))
   (( segid "SF1 " and resid 108  and name HE2 ))
      3.000     1.100     1.100 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.19622E-02 ppm1      2.738 ppm2      0.656 CV     1
 OR { 1415}
   (( segid "SF1 " and resid 108  and name HG2 ))
   (( segid "SF1 " and resid 108  and name HE1 ))
 ASSI { 1416}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 33   and name HE2 ))
      3.800     1.800     1.800 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.65595E-03 ppm1      3.032 ppm2      0.720 CV     1
 OR { 1416}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 33   and name HE1 ))
 ASSI { 1418}
   (( segid "SF1 " and resid 106  and name HG2 ))
   (( segid "SF1 " and resid 106  and name HD1 ))
      3.200     1.300     1.300 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.10039E-02 ppm1      3.365 ppm2      1.830 CV     1
 OR { 1418}
   (( segid "SF1 " and resid 106  and name HG1 ))
   (( segid "SF1 " and resid 106  and name HD1 ))
 ASSI { 1419}
   (( segid "SF1 " and resid 106  and name HB1 ))
   (( segid "SF1 " and resid 106  and name HD1 ))
      3.600     1.600     1.600 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.56297E-03 ppm1      3.378 ppm2      1.980 CV     1
 OR { 1419}
   (( segid "SF1 " and resid 106  and name HB2 ))
   (( segid "SF1 " and resid 106  and name HD1 ))
 ASSI { 1420}
   (( segid "SF1 " and resid 106  and name HB2 ))
   (( segid "SF1 " and resid 106  and name HD2 ))
      3.000     1.100     1.100 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.21903E-02 ppm1      3.260 ppm2      1.995 CV     1
 OR { 1420}
   (( segid "SF1 " and resid 106  and name HB1 ))
   (( segid "SF1 " and resid 106  and name HD2 ))
 ASSI { 1422}
   (( segid "SF1 " and resid 77   and name HG2 ))
   (( segid "SF1 " and resid 77   and name HE2 ))
      2.600     0.800     0.800 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.37817E-02 ppm1      3.031 ppm2      1.254 CV     1
 OR { 1422}
   (( segid "SF1 " and resid 77   and name HG2 ))
   (( segid "SF1 " and resid 77   and name HE1 ))
 ASSI { 1423}
   (( segid "SF1 " and resid 72   and name HB2 ))
   (( segid "SF1 " and resid 72   and name HB1 ))
      1.800     0.400     0.400 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.11180E-01 ppm1      3.130 ppm2      2.542 CV     1
 ASSI { 1424}
   (  segid "SF1 " and resid 61   and name HD% )
   (( segid "SF1 " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.21162E-02 ppm1      2.740 ppm2      7.149 CV     1
 ASSI { 1426}
   (( segid "SF1 " and resid 62   and name HN  ))
   (( segid "SF1 " and resid 62   and name HB  ))
      2.800     1.000     1.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.23101E-02 ppm1      3.849 ppm2      8.675 CV     1
 ASSI { 1428}
   (  segid "SF1 " and resid 62   and name HG2%)
   (( segid "SF1 " and resid 62   and name HB  ))
      2.400     0.700     0.700 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.75294E-02 ppm1      3.850 ppm2      1.015 CV     1
 ASSI { 1431}
   (( segid "SF1 " and resid 61   and name HN  ))
   (( segid "SF1 " and resid 61   and name HB1 ))
      3.700     1.700     1.700 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      3.581 ppm2      8.461 CV     1
 ASSI { 1432}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 61   and name HB1 ))
      4.200     2.300     1.800 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.66164E-03 ppm1      3.594 ppm2      7.726 CV     1
 ASSI { 1434}
   (( segid "SF1 " and resid 61   and name HB2 ))
   (( segid "SF1 " and resid 61   and name HB1 ))
      2.200     0.600     0.600 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.26181E-02 ppm1      3.585 ppm2      2.715 CV     1
 ASSI { 1435}
   (( segid "SF1 " and resid 73   and name HN  ))
   (( segid "SF1 " and resid 72   and name HB1 ))
      2.400     0.700     0.700 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.39243E-02 ppm1      3.132 ppm2      8.206 CV     1
 ASSI { 1437}
   (( segid "SF1 " and resid 86   and name HD1 ))
   (( segid "SF1 " and resid 86   and name HE2 ))
      2.600     0.800     0.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.25097E-02 ppm1      3.108 ppm2      1.782 CV     1
 ASSI { 1438}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 77   and name HE2 ))
      4.200     2.200     1.800 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.74152E-03 ppm1      3.034 ppm2      7.532 CV     1
 OR { 1438}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 77   and name HE1 ))
 ASSI { 1441}
   (( segid "SF1 " and resid 77   and name HG1 ))
   (( segid "SF1 " and resid 77   and name HE2 ))
      2.500     0.800     0.800 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.68449E-02 ppm1      3.031 ppm2      1.363 CV     1
 OR { 1441}
   (( segid "SF1 " and resid 77   and name HG1 ))
   (( segid "SF1 " and resid 77   and name HE1 ))
 ASSI { 1444}
   (  segid "SF1 " and resid 61   and name HE% )
   (( segid "SF1 " and resid 59   and name HE2 ))
      3.700     1.800     1.800 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.10837E-02 ppm1      2.912 ppm2      6.518 CV     1
 OR { 1444}
   (  segid "SF1 " and resid 61   and name HE% )
   (( segid "SF1 " and resid 59   and name HE1 ))
 ASSI { 1445}
   (( segid "SF1 " and resid 60   and name HN  ))
   (( segid "SF1 " and resid 59   and name HE1 ))
      4.700     2.800     1.300 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.40441E-03 ppm1      2.913 ppm2      8.214 CV     1
 OR { 1445}
   (( segid "SF1 " and resid 60   and name HN  ))
   (( segid "SF1 " and resid 59   and name HE2 ))
 ASSI { 1449}
   (( segid "SF1 " and resid 59   and name HA  ))
   (( segid "SF1 " and resid 59   and name HE2 ))
      4.100     2.100     1.900 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.91265E-03 ppm1      2.916 ppm2      3.747 CV     1
 OR { 1449}
   (( segid "SF1 " and resid 59   and name HA  ))
   (( segid "SF1 " and resid 59   and name HE1 ))
 ASSI { 1451}
   (( segid "SF1 " and resid 48   and name HD2 ))
   (( segid "SF1 " and resid 48   and name HE1 ))
      3.100     1.200     1.200 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.98680E-03 ppm1      2.855 ppm2      0.418 CV     1
 ASSI { 1452}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (( segid "SF1 " and resid 59   and name HE1 ))
      2.500     0.800     0.800 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.58181E-02 ppm1      2.915 ppm2      1.073 CV     1
 OR { 1452}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (( segid "SF1 " and resid 59   and name HE2 ))
 OR { 1452}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HE2 ))
 ASSI { 1454}
   (( segid "SF1 " and resid 48   and name HD1 ))
   (( segid "SF1 " and resid 48   and name HE2 ))
      2.900     1.000     1.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.20135E-02 ppm1      2.815 ppm2      1.178 CV     1
 OR { 1454}
   (( segid "SF1 " and resid 48   and name HD1 ))
   (( segid "SF1 " and resid 48   and name HE1 ))
 ASSI { 1463}
   (( segid "SF1 " and resid 52   and name HN  ))
   (( segid "SF1 " and resid 51   and name HB2 ))
      4.000     2.000     2.000 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      2.898 ppm2      7.925 CV     1
 ASSI { 1473}
   (( segid "SF1 " and resid 100  and name HB2 ))
   (( segid "SF1 " and resid 100  and name HB1 ))
      1.900     0.400     0.400 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.11921E-01 ppm1      2.970 ppm2      2.559 CV     1
 ASSI { 1475}
   (( segid "SF1 " and resid 81   and name HN  ))
   (( segid "SF1 " and resid 81   and name HB1 ))
      3.100     1.200     1.200 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.94688E-03 ppm1      3.061 ppm2      8.510 CV     1
 ASSI { 1478}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 81   and name HB2 ))
      2.800     1.000     1.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.19507E-02 ppm1      2.859 ppm2      7.723 CV     1
 ASSI { 1482}
   (( segid "SF1 " and resid 108  and name HN  ))
   (( segid "SF1 " and resid 107  and name HB1 ))
      2.900     1.100     1.100 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.16599E-02 ppm1      3.477 ppm2      8.166 CV     1
 ASSI { 1488}
   (( segid "SF1 " and resid 23   and name HN  ))
   (( segid "SF1 " and resid 20   and name HB2 ))
      2.900     2.900     3.100 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.90123E-03 ppm1      2.952 ppm2      8.373 CV     1
 ASSI { 1490}
   (( segid "SF1 " and resid 107  and name HB1 ))
   (( segid "SF1 " and resid 107  and name HB2 ))
      2.400     0.700     0.700 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.23957E-02 ppm1      2.951 ppm2      3.460 CV     1
 ASSI { 1491}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 74   and name HB  ))
      3.300     1.400     1.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.13348E-02 ppm1      4.200 ppm2      8.636 CV     1
 ASSI { 1492}
   (( segid "SF1 " and resid 74   and name HN  ))
   (( segid "SF1 " and resid 74   and name HB  ))
      3.000     1.100     1.100 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.25611E-02 ppm1      4.200 ppm2      7.882 CV     1
 ASSI { 1494}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 74   and name HB  ))
      2.300     0.600     0.600 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.91834E-02 ppm1      4.198 ppm2      1.178 CV     1
 ASSI { 1497}
   (  segid "SF1 " and resid 89   and name HG2%)
   (( segid "SF1 " and resid 89   and name HB  ))
      2.500     0.800     0.800 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.47343E-02 ppm1      4.323 ppm2      1.223 CV     1
 ASSI { 1498}
   (( segid "SF1 " and resid 89   and name HA  ))
   (( segid "SF1 " and resid 89   and name HB  ))
      3.800     1.800     1.800 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.46487E-03 ppm1      4.322 ppm2      3.881 CV     1
 ASSI { 1501}
   (( segid "SF1 " and resid 52   and name HB2 ))
   (( segid "SF1 " and resid 52   and name HE2 ))
      2.700     0.900     0.900 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.32398E-02 ppm1      2.683 ppm2      1.841 CV     1
 OR { 1501}
   (( segid "SF1 " and resid 52   and name HB2 ))
   (( segid "SF1 " and resid 52   and name HE1 ))
 ASSI { 1502}
   (( segid "SF1 " and resid 52   and name HD1 ))
   (( segid "SF1 " and resid 52   and name HE2 ))
      2.600     0.800     0.800 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.35251E-02 ppm1      2.683 ppm2      1.744 CV     1
 OR { 1502}
   (( segid "SF1 " and resid 52   and name HD1 ))
   (( segid "SF1 " and resid 52   and name HE1 ))
 ASSI { 1503}
   (( segid "SF1 " and resid 52   and name HD2 ))
   (( segid "SF1 " and resid 52   and name HE1 ))
      2.600     0.900     0.900 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.33596E-02 ppm1      2.680 ppm2      1.482 CV     1
 OR { 1503}
   (( segid "SF1 " and resid 52   and name HD2 ))
   (( segid "SF1 " and resid 52   and name HE2 ))
 OR { 1503}
   (( segid "SF1 " and resid 52   and name HG1 ))
   (( segid "SF1 " and resid 52   and name HE1 ))
 ASSI { 1504}
   (( segid "SF1 " and resid 52   and name HG2 ))
   (( segid "SF1 " and resid 52   and name HE2 ))
      3.300     1.400     1.400 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.14830E-02 ppm1      2.690 ppm2      1.028 CV     1
 OR { 1504}
   (( segid "SF1 " and resid 52   and name HG2 ))
   (( segid "SF1 " and resid 52   and name HE1 ))
 ASSI { 1505}
   (( segid "SF1 " and resid 49   and name HA2 ))
   (( segid "SF1 " and resid 52   and name HE2 ))
      3.100     1.200     1.200 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.94114E-03 ppm1      2.679 ppm2      3.521 CV     1
 OR { 1505}
   (( segid "SF1 " and resid 49   and name HA2 ))
   (( segid "SF1 " and resid 52   and name HE1 ))
 ASSI { 1507}
   (( segid "SF1 " and resid 54   and name HG1 ))
   (( segid "SF1 " and resid 54   and name HB  ))
      2.900     1.100     1.100 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.14773E-02 ppm1      3.535 ppm2      4.051 CV     1
 ASSI { 1509}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 54   and name HB  ))
      2.500     0.800     0.800 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.39529E-02 ppm1      3.528 ppm2     -0.151 CV     1
 ASSI { 1514}
   (( segid "SF1 " and resid 57   and name HD22))
   (( segid "SF1 " and resid 57   and name HB1 ))
      4.800     2.900     1.200 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.35422E-03 ppm1      2.816 ppm2      7.247 CV     1
 ASSI { 1516}
   (( segid "SF1 " and resid 57   and name HB2 ))
   (( segid "SF1 " and resid 57   and name HB1 ))
      1.700     0.400     0.500 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.12263E-01 ppm1      2.811 ppm2      2.382 CV     1
 ASSI { 1518}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 57   and name HB1 ))
      2.900     1.100     1.100 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.11522E-02 ppm1      2.810 ppm2      1.298 CV     1
 ASSI { 1528}
   (( segid "SF1 " and resid 83   and name HN  ))
   (  segid "SF1 " and resid 71   and name HD1%)
      3.300     1.300     1.300 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.11237E-02 ppm1      0.445 ppm2      8.671 CV     1
 ASSI { 1531}
   (( segid "SF1 " and resid 77   and name HN  ))
   (  segid "SF1 " and resid 71   and name HD1%)
      4.100     2.100     1.900 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.34623E-03 ppm1      0.450 ppm2      7.539 CV     1
 ASSI { 1532}
   (( segid "SF1 " and resid 79   and name HN  ))
   (  segid "SF1 " and resid 71   and name HD1%)
      3.900     1.900     1.900 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.47800E-03 ppm1      0.447 ppm2      6.876 CV     1
 ASSI { 1533}
   (( segid "SF1 " and resid 72   and name HN  ))
   (  segid "SF1 " and resid 71   and name HD1%)
      4.600     2.600     1.400 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.73583E-03 ppm1      0.439 ppm2      6.671 CV     1
 ASSI { 1536}
   (( segid "SF1 " and resid 82   and name HB1 ))
   (  segid "SF1 " and resid 71   and name HD1%)
      2.700     0.900     0.900 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.18310E-02 ppm1      0.446 ppm2      2.998 CV     1
 ASSI { 1542}
   (( segid "SF1 " and resid 71   and name HG11))
   (  segid "SF1 " and resid 71   and name HD1%)
      2.200     0.600     0.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.73009E-02 ppm1      0.444 ppm2      1.588 CV     1
 ASSI { 1544}
   (( segid "SF1 " and resid 71   and name HG12))
   (  segid "SF1 " and resid 71   and name HD1%)
      2.200     0.600     0.600 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.79286E-02 ppm1      0.445 ppm2      0.855 CV     1
 ASSI { 1552}
   (( segid "SF1 " and resid 24   and name HN  ))
   (( segid "SF1 " and resid 23   and name HB2 ))
      4.300     2.300     1.700 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.49796E-03 ppm1      2.705 ppm2      8.226 CV     1
 ASSI { 1555}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (( segid "SF1 " and resid 89   and name HB  ))
      3.800     1.800     1.800 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.74721E-03 ppm1      4.329 ppm2      1.454 CV     1
 OR { 1555}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (( segid "SF1 " and resid 89   and name HB  ))
 ASSI { 1556}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 89   and name HB  ))
      3.300     1.300     1.300 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.11978E-02 ppm1      4.323 ppm2      0.907 CV     1
 ASSI { 1557}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 109  and name HB1 ))
      3.900     1.900     1.900 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      2.935 ppm2      8.160 CV     1
 ASSI { 1558}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 109  and name HB1 ))
      3.200     1.300     1.300 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.11009E-02 ppm1      2.930 ppm2      7.117 CV     1
 ASSI { 1560}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 109  and name HB2 ))
      3.300     1.400     1.400 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.82135E-03 ppm1      2.494 ppm2      7.116 CV     1
 ASSI { 1562}
   (( segid "SF1 " and resid 109  and name HB2 ))
   (( segid "SF1 " and resid 109  and name HB1 ))
      2.100     0.500     0.500 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.53220E-02 ppm1      2.914 ppm2      2.499 CV     1
 ASSI { 1567}
   (  segid "SF1 " and resid 84   and name HD% )
   (( segid "SF1 " and resid 84   and name HB1 ))
      3.000     1.200     1.200 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.98111E-03 ppm1      3.656 ppm2      7.307 CV     1
 ASSI { 1568}
   (  segid "SF1 " and resid 84   and name HD% )
   (( segid "SF1 " and resid 84   and name HB2 ))
      2.900     1.000     1.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.23672E-02 ppm1      3.515 ppm2      7.308 CV     1
 ASSI { 1570}
   (( segid "SF1 " and resid 37   and name HB2 ))
   (( segid "SF1 " and resid 37   and name HB1 ))
      2.400     0.700     0.700 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.22645E-02 ppm1      2.079 ppm2      1.699 CV     1
 ASSI { 1571}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 54   and name HA  ))
      3.100     1.200     1.200 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.14317E-02 ppm1      3.149 ppm2      7.708 CV     1
 ASSI { 1574}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 54   and name HA  ))
      2.900     1.100     1.100 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.17340E-02 ppm1      3.148 ppm2      1.294 CV     1
 ASSI { 1575}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (( segid "SF1 " and resid 54   and name HA  ))
      3.400     1.400     1.400 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.38331E-02 ppm1      3.145 ppm2      1.079 CV     1
 OR { 1575}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (( segid "SF1 " and resid 54   and name HA  ))
 ASSI { 1576}
   (( segid "SF1 " and resid 57   and name HB1 ))
   (( segid "SF1 " and resid 54   and name HA  ))
      4.400     2.400     1.600 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.78143E-03 ppm1      3.149 ppm2      2.815 CV     1
 ASSI { 1577}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 54   and name HA  ))
      2.600     0.900     0.900 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.36848E-02 ppm1      3.147 ppm2     -0.157 CV     1
 ASSI { 1578}
   (( segid "SF1 " and resid 89   and name HN  ))
   (( segid "SF1 " and resid 89   and name HA  ))
      2.900     1.000     1.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.21162E-02 ppm1      3.879 ppm2      8.608 CV     1
 ASSI { 1580}
   (  segid "SF1 " and resid 89   and name HG2%)
   (( segid "SF1 " and resid 89   and name HA  ))
      2.600     0.800     0.800 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.54357E-02 ppm1      3.881 ppm2      1.224 CV     1
 ASSI { 1581}
   (( segid "SF1 " and resid 47   and name HB2 ))
   (( segid "SF1 " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.25212E-02 ppm1      4.124 ppm2      2.953 CV     1
 ASSI { 1582}
   (( segid "SF1 " and resid 58   and name HD21))
   (( segid "SF1 " and resid 58   and name HB1 ))
      3.200     1.300     1.300 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.33083E-02 ppm1      2.963 ppm2      7.468 CV     1
 ASSI { 1583}
   (( segid "SF1 " and resid 58   and name HD22))
   (( segid "SF1 " and resid 58   and name HB1 ))
      4.100     2.100     1.900 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.11807E-02 ppm1      2.962 ppm2      6.782 CV     1
 ASSI { 1589}
   (( segid "SF1 " and resid 58   and name HD21))
   (( segid "SF1 " and resid 58   and name HB2 ))
      2.600     0.800     0.800 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.23900E-02 ppm1      2.464 ppm2      7.463 CV     1
 ASSI { 1591}
   (( segid "SF1 " and resid 58   and name HD22))
   (( segid "SF1 " and resid 58   and name HB2 ))
      4.300     2.300     1.700 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.74721E-03 ppm1      2.468 ppm2      6.784 CV     1
 ASSI { 1593}
   (( segid "SF1 " and resid 95   and name HB2 ))
   (( segid "SF1 " and resid 95   and name HG1 ))
      2.200     0.600     0.600 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.90123E-02 ppm1      2.440 ppm2      2.166 CV     1
 OR { 1593}
   (( segid "SF1 " and resid 95   and name HB1 ))
   (( segid "SF1 " and resid 95   and name HG1 ))
 ASSI { 1595}
   (( segid "SF1 " and resid 50   and name HN  ))
   (( segid "SF1 " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.41924E-03 ppm1      4.093 ppm2      8.543 CV     1
 ASSI { 1596}
   (( segid "SF1 " and resid 48   and name HN  ))
   (( segid "SF1 " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.44719E-03 ppm1      4.096 ppm2      7.150 CV     1
 ASSI { 1597}
   (( segid "SF1 " and resid 26   and name HN  ))
   (( segid "SF1 " and resid 25   and name HG1 ))
      3.500     1.500     1.500 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.25896E-02 ppm1      2.192 ppm2      8.058 CV     1
 OR { 1597}
   (( segid "SF1 " and resid 26   and name HN  ))
   (( segid "SF1 " and resid 25   and name HG2 ))
 ASSI { 1598}
   (( segid "SF1 " and resid 25   and name HA  ))
   (( segid "SF1 " and resid 25   and name HG1 ))
      3.400     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.11921E-02 ppm1      2.193 ppm2      4.231 CV     1
 OR { 1598}
   (( segid "SF1 " and resid 25   and name HA  ))
   (( segid "SF1 " and resid 25   and name HG2 ))
 ASSI { 1599}
   (( segid "SF1 " and resid 25   and name HB2 ))
   (( segid "SF1 " and resid 25   and name HG2 ))
      2.200     0.600     0.600 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.10781E-01 ppm1      2.192 ppm2      1.837 CV     1
 OR { 1599}
   (( segid "SF1 " and resid 25   and name HB2 ))
   (( segid "SF1 " and resid 25   and name HG1 ))
 ASSI { 1600}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 25   and name HG2 ))
      2.600     2.600     3.400 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.34452E-02 ppm1      2.187 ppm2      0.608 CV     1
 OR { 1600}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 25   and name HG1 ))
 ASSI { 1601}
   (( segid "SF1 " and resid 25   and name HB1 ))
   (( segid "SF1 " and resid 25   and name HG2 ))
      1.800     0.400     0.400 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.33939E-01 ppm1      2.206 ppm2      2.003 CV     1
 OR { 1601}
   (( segid "SF1 " and resid 25   and name HB1 ))
   (( segid "SF1 " and resid 25   and name HG1 ))
 ASSI { 1603}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 95   and name HG2 ))
      3.600     1.600     1.600 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.13233E-02 ppm1      2.367 ppm2      7.155 CV     1
 ASSI { 1604}
   (( segid "SF1 " and resid 95   and name HN  ))
   (( segid "SF1 " and resid 95   and name HG2 ))
      2.700     0.900     0.900 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.14545E-02 ppm1      2.371 ppm2     -0.269 CV     1
 ASSI { 1605}
   (  segid "SF1 " and resid 113  and name HD% )
   (( segid "SF1 " and resid 113  and name HB2 ))
      3.300     1.400     1.400 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.79855E-03 ppm1      2.388 ppm2      6.496 CV     1
 ASSI { 1609}
   (( segid "SF1 " and resid 96   and name HN  ))
   (( segid "SF1 " and resid 95   and name HG1 ))
      3.500     1.500     1.500 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1      2.439 ppm2      7.737 CV     1
 ASSI { 1610}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 95   and name HG1 ))
      3.100     1.200     1.200 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.14488E-02 ppm1      2.438 ppm2      7.155 CV     1
 ASSI { 1611}
   (( segid "SF1 " and resid 58   and name HB1 ))
   (( segid "SF1 " and resid 58   and name HB2 ))
      1.600     0.300     0.600 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.29832E-01 ppm1      2.463 ppm2      2.956 CV     1
 ASSI { 1613}
   (( segid "SF1 " and resid 58   and name HN  ))
   (( segid "SF1 " and resid 55   and name HA  ))
      3.100     1.200     1.200 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.14716E-02 ppm1      3.373 ppm2      7.546 CV     1
 ASSI { 1614}
   (( segid "SF1 " and resid 55   and name HB  ))
   (( segid "SF1 " and resid 55   and name HA  ))
      3.000     1.100     1.100 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.16142E-02 ppm1      3.373 ppm2      1.526 CV     1
 ASSI { 1615}
   (  segid "SF1 " and resid 55   and name HG1%)
   (( segid "SF1 " and resid 55   and name HA  ))
      2.400     0.700     0.700 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.65595E-02 ppm1      3.375 ppm2      0.761 CV     1
 ASSI { 1616}
   (  segid "SF1 " and resid 55   and name HG2%)
   (( segid "SF1 " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.60461E-02 ppm1      3.373 ppm2      0.256 CV     1
 ASSI { 1617}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 55   and name HA  ))
      3.400     1.500     1.500 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.90692E-03 ppm1      3.375 ppm2     -0.152 CV     1
 ASSI { 1619}
   (( segid "SF1 " and resid 29   and name HN  ))
   (( segid "SF1 " and resid 29   and name HA  ))
      3.200     1.200     1.200 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      3.685 ppm2      8.800 CV     1
 ASSI { 1620}
   (( segid "SF1 " and resid 86   and name HD1 ))
   (( segid "SF1 " and resid 29   and name HA  ))
      3.300     1.300     1.300 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.16770E-02 ppm1      3.684 ppm2      1.804 CV     1
 ASSI { 1621}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (( segid "SF1 " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.24356E-02 ppm1      3.684 ppm2      1.464 CV     1
 OR { 1621}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (( segid "SF1 " and resid 29   and name HA  ))
 ASSI { 1622}
   (  segid "SF1 " and resid 29   and name HG1%)
   (( segid "SF1 " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.41525E-02 ppm1      3.684 ppm2      0.991 CV     1
 ASSI { 1623}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 29   and name HA  ))
      2.600     0.800     0.800 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.42780E-02 ppm1      3.685 ppm2      0.852 CV     1
 ASSI { 1624}
   (( segid "SF1 " and resid 29   and name HB  ))
   (( segid "SF1 " and resid 29   and name HA  ))
      3.400     1.400     1.400 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.71872E-03 ppm1      3.685 ppm2      2.973 CV     1
 ASSI { 1627}
   (( segid "SF1 " and resid 65   and name HB2 ))
   (( segid "SF1 " and resid 65   and name HG1 ))
      2.400     0.700     0.700 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.53504E-02 ppm1      2.320 ppm2      1.812 CV     1
 ASSI { 1628}
   (( segid "SF1 " and resid 86   and name HE1 ))
   (( segid "SF1 " and resid 29   and name HA  ))
      3.500     1.500     1.500 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.98111E-03 ppm1      3.683 ppm2      3.260 CV     1
 ASSI { 1630}
   (( segid "SF1 " and resid 66   and name HN  ))
   (( segid "SF1 " and resid 65   and name HG2 ))
      4.100     2.100     1.900 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      2.187 ppm2      8.892 CV     1
 ASSI { 1631}
   (( segid "SF1 " and resid 65   and name HB2 ))
   (( segid "SF1 " and resid 65   and name HG2 ))
      2.400     0.700     0.700 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.85557E-02 ppm1      2.190 ppm2      1.810 CV     1
 ASSI { 1632}
   (( segid "SF1 " and resid 71   and name HN  ))
   (( segid "SF1 " and resid 71   and name HB  ))
      2.700     0.900     0.900 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.25497E-02 ppm1      2.003 ppm2      8.404 CV     1
 ASSI { 1633}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 71   and name HB  ))
      2.600     0.900     0.900 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.25953E-02 ppm1      2.004 ppm2      0.857 CV     1
 ASSI { 1637}
   (  segid "SF1 " and resid 81   and name HE% )
   (( segid "SF1 " and resid 67   and name HG2 ))
      3.000     1.100     1.100 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.14887E-02 ppm1      1.896 ppm2      7.390 CV     1
 ASSI { 1638}
   (( segid "SF1 " and resid 67   and name HB1 ))
   (( segid "SF1 " and resid 67   and name HG2 ))
      2.300     0.700     0.700 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.84420E-02 ppm1      1.886 ppm2      2.382 CV     1
 OR { 1638}
   (( segid "SF1 " and resid 67   and name HB2 ))
   (( segid "SF1 " and resid 67   and name HG2 ))
 ASSI { 1639}
   (( segid "SF1 " and resid 67   and name HE21))
   (( segid "SF1 " and resid 67   and name HG2 ))
      3.600     1.600     1.600 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.50081E-03 ppm1      1.886 ppm2      7.005 CV     1
 ASSI { 1640}
   (( segid "SF1 " and resid 67   and name HA  ))
   (( segid "SF1 " and resid 67   and name HG2 ))
      3.500     1.500     1.500 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.56982E-03 ppm1      1.888 ppm2      4.094 CV     1
 ASSI { 1642}
   (  segid "SF1 " and resid 81   and name HE% )
   (( segid "SF1 " and resid 67   and name HG1 ))
      3.700     1.800     1.800 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.96968E-03 ppm1      2.136 ppm2      7.404 CV     1
 ASSI { 1643}
   (( segid "SF1 " and resid 67   and name HE21))
   (( segid "SF1 " and resid 67   and name HG1 ))
      3.400     1.400     1.400 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.66164E-03 ppm1      2.137 ppm2      6.997 CV     1
 ASSI { 1645}
   (( segid "SF1 " and resid 67   and name HG2 ))
   (( segid "SF1 " and resid 67   and name HG1 ))
      1.600     0.300     0.600 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.19736E-01 ppm1      2.133 ppm2      1.881 CV     1
 ASSI { 1646}
   (  segid "SF1 " and resid 71   and name HG2%)
   (( segid "SF1 " and resid 30   and name HB2 ))
      3.400     1.500     1.500 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.21675E-02 ppm1      1.948 ppm2      0.521 CV     1
 ASSI { 1647}
   (( segid "SF1 " and resid 63   and name HN  ))
   (( segid "SF1 " and resid 67   and name HG2 ))
      3.500     1.500     1.500 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.59892E-03 ppm1      1.891 ppm2      8.406 CV     1
 ASSI { 1649}
   (( segid "SF1 " and resid 67   and name HE22))
   (( segid "SF1 " and resid 67   and name HG2 ))
      4.700     2.800     1.300 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.33596E-03 ppm1      1.875 ppm2      6.616 CV     1
 ASSI { 1650}
   (( segid "SF1 " and resid 67   and name HE22))
   (( segid "SF1 " and resid 67   and name HG1 ))
      4.900     3.000     1.100 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.26580E-03 ppm1      2.134 ppm2      6.614 CV     1
 ASSI { 1651}
   (( segid "SF1 " and resid 93   and name HN  ))
   (( segid "SF1 " and resid 39   and name HB2 ))
      5.000     3.100     1.000 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.33140E-03 ppm1      2.813 ppm2      8.774 CV     1
 ASSI { 1652}
   (  segid "SF1 " and resid 39   and name HD% )
   (( segid "SF1 " and resid 39   and name HB2 ))
      3.100     1.200     1.200 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      2.799 ppm2      6.821 CV     1
 ASSI { 1655}
   (  segid "SF1 " and resid 71   and name HG2%)
   (( segid "SF1 " and resid 30   and name HB1 ))
      3.600     1.600     1.600 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.97537E-03 ppm1      2.717 ppm2      0.510 CV     1
 ASSI { 1656}
   (( segid "SF1 " and resid 30   and name HB2 ))
   (( segid "SF1 " and resid 30   and name HB1 ))
      2.000     0.500     0.500 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.62172E-02 ppm1      2.717 ppm2      1.947 CV     1
 ASSI { 1657}
   (( segid "SF1 " and resid 30   and name HN  ))
   (( segid "SF1 " and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.26809E-03 ppm1      2.716 ppm2      7.581 CV     1
 ASSI { 1661}
   (( segid "SF1 " and resid 111  and name HB1 ))
   (( segid "SF1 " and resid 111  and name HA  ))
      2.500     0.800     0.800 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.31372E-02 ppm1      4.181 ppm2      2.313 CV     1
 ASSI { 1662}
   (( segid "SF1 " and resid 111  and name HG1 ))
   (( segid "SF1 " and resid 111  and name HA  ))
      3.400     1.400     1.400 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      4.180 ppm2      1.979 CV     1
 ASSI { 1663}
   (( segid "SF1 " and resid 111  and name HB2 ))
   (( segid "SF1 " and resid 111  and name HA  ))
      2.800     0.900     0.900 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.48427E-02 ppm1      4.181 ppm2      1.784 CV     1
 ASSI { 1664}
   (( segid "SF1 " and resid 114  and name HD2 ))
   (( segid "SF1 " and resid 111  and name HA  ))
      3.500     1.500     1.500 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.80997E-03 ppm1      4.183 ppm2      1.627 CV     1
 OR { 1664}
   (( segid "SF1 " and resid 114  and name HD1 ))
   (( segid "SF1 " and resid 111  and name HA  ))
 ASSI { 1666}
   (( segid "SF1 " and resid 86   and name HN  ))
   (( segid "SF1 " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.56982E-03 ppm1      4.019 ppm2      7.979 CV     1
 ASSI { 1668}
   (( segid "SF1 " and resid 82   and name HB1 ))
   (( segid "SF1 " and resid 82   and name HA  ))
      2.800     1.000     1.000 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.16827E-02 ppm1      4.015 ppm2      3.002 CV     1
 ASSI { 1670}
   (( segid "SF1 " and resid 85   and name HB1 ))
   (( segid "SF1 " and resid 82   and name HA  ))
      3.900     1.900     1.900 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.14488E-02 ppm1      4.018 ppm2      1.983 CV     1
 ASSI { 1672}
   (( segid "SF1 " and resid 82   and name HN  ))
   (( segid "SF1 " and resid 82   and name HA  ))
      3.000     1.200     1.200 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.13689E-02 ppm1      4.015 ppm2     -0.181 CV     1
 ASSI { 1673}
   (( segid "SF1 " and resid 83   and name HN  ))
   (( segid "SF1 " and resid 80   and name HA  ))
      3.700     1.700     1.700 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.54418E-03 ppm1      3.928 ppm2      8.674 CV     1
 ASSI { 1674}
   (( segid "SF1 " and resid 50   and name HZ  ))
   (( segid "SF1 " and resid 80   and name HA  ))
      3.200     1.300     1.300 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      3.939 ppm2      7.659 CV     1
 ASSI { 1675}
   (  segid "SF1 " and resid 50   and name HE% )
   (( segid "SF1 " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.57038E-03 ppm1      3.935 ppm2      7.211 CV     1
 ASSI { 1676}
   (( segid "SF1 " and resid 80   and name HG2 ))
   (( segid "SF1 " and resid 80   and name HA  ))
      4.000     2.000     2.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.90123E-03 ppm1      3.927 ppm2      1.891 CV     1
 OR { 1676}
   (( segid "SF1 " and resid 80   and name HG1 ))
   (( segid "SF1 " and resid 80   and name HA  ))
 ASSI { 1678}
   (( segid "SF1 " and resid 80   and name HB1 ))
   (( segid "SF1 " and resid 80   and name HA  ))
      2.800     1.000     1.000 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.17454E-02 ppm1      3.932 ppm2      0.562 CV     1
 ASSI { 1679}
   (( segid "SF1 " and resid 56   and name HN  ))
   (( segid "SF1 " and resid 56   and name HG1 ))
      3.100     1.200     1.200 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.15971E-02 ppm1      2.620 ppm2      8.817 CV     1
 ASSI { 1680}
   (( segid "SF1 " and resid 56   and name HE21))
   (( segid "SF1 " and resid 56   and name HG1 ))
      3.600     1.600     1.600 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.49397E-03 ppm1      2.616 ppm2      8.601 CV     1
 ASSI { 1682}
   (( segid "SF1 " and resid 56   and name HG2 ))
   (( segid "SF1 " and resid 56   and name HG1 ))
      1.900     0.500     0.500 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.73009E-02 ppm1      2.616 ppm2      2.125 CV     1
 ASSI { 1683}
   (( segid "SF1 " and resid 56   and name HB2 ))
   (( segid "SF1 " and resid 56   and name HG1 ))
      2.700     0.900     0.900 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.18025E-02 ppm1      2.623 ppm2      1.583 CV     1
 ASSI { 1684}
   (( segid "SF1 " and resid 52   and name HG2 ))
   (( segid "SF1 " and resid 56   and name HG1 ))
      3.800     1.800     1.800 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.42666E-03 ppm1      2.614 ppm2      1.036 CV     1
 ASSI { 1686}
   (( segid "SF1 " and resid 67   and name HN  ))
   (( segid "SF1 " and resid 67   and name HG1 ))
      2.900     1.000     1.000 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.18994E-02 ppm1      2.133 ppm2      9.316 CV     1
 ASSI { 1688}
   (( segid "SF1 " and resid 56   and name HE21))
   (( segid "SF1 " and resid 56   and name HG2 ))
      3.000     1.200     1.200 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.12035E-02 ppm1      2.129 ppm2      8.607 CV     1
 ASSI { 1693}
   (  segid "SF1 " and resid 39   and name HD% )
   (( segid "SF1 " and resid 39   and name HB1 ))
      3.100     1.200     1.200 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.10210E-02 ppm1      3.196 ppm2      6.847 CV     1
 ASSI { 1694}
   (( segid "SF1 " and resid 39   and name HB2 ))
   (( segid "SF1 " and resid 39   and name HB1 ))
      2.300     0.600     0.600 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.28292E-02 ppm1      3.195 ppm2      2.788 CV     1
 ASSI { 1695}
   (  segid "SF1 " and resid 92   and name HE% )
   (( segid "SF1 " and resid 39   and name HB1 ))
      3.600     1.600     1.600 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.91265E-03 ppm1      3.198 ppm2      1.746 CV     1
 ASSI { 1697}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 74   and name HA  ))
      3.400     1.500     1.500 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.91834E-03 ppm1      4.220 ppm2      8.632 CV     1
 ASSI { 1698}
   (( segid "SF1 " and resid 74   and name HN  ))
   (( segid "SF1 " and resid 74   and name HA  ))
      2.900     1.100     1.100 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.18310E-02 ppm1      4.223 ppm2      7.875 CV     1
 ASSI { 1699}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.31714E-02 ppm1      4.222 ppm2      1.171 CV     1
 ASSI { 1700}
   (( segid "SF1 " and resid 28   and name HB1 ))
   (( segid "SF1 " and resid 28   and name HA  ))
      2.400     0.700     0.700 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.53159E-02 ppm1      4.466 ppm2      2.402 CV     1
 ASSI { 1701}
   (( segid "SF1 " and resid 28   and name HB2 ))
   (( segid "SF1 " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.42837E-02 ppm1      4.460 ppm2      1.876 CV     1
 ASSI { 1702}
   (( segid "SF1 " and resid 87   and name HN  ))
   (( segid "SF1 " and resid 87   and name HA  ))
      2.700     0.900     0.900 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.24470E-02 ppm1      3.823 ppm2      8.515 CV     1
 ASSI { 1704}
   (  segid "SF1 " and resid 29   and name HG1%)
   (( segid "SF1 " and resid 87   and name HA  ))
      2.700     0.900     0.900 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.31144E-02 ppm1      3.821 ppm2      0.989 CV     1
 ASSI { 1705}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 87   and name HA  ))
      2.300     0.700     0.700 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.66164E-02 ppm1      3.823 ppm2      0.900 CV     1
 OR { 1705}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 87   and name HA  ))
 ASSI { 1706}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 75   and name HG1 ))
      2.600     0.800     0.800 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.28235E-02 ppm1      2.426 ppm2      8.635 CV     1
 ASSI { 1709}
   (( segid "SF1 " and resid 75   and name HE21))
   (( segid "SF1 " and resid 75   and name HG1 ))
      3.200     1.300     1.300 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      2.430 ppm2      7.518 CV     1
 ASSI { 1712}
   (( segid "SF1 " and resid 75   and name HB2 ))
   (( segid "SF1 " and resid 75   and name HG1 ))
      2.000     0.500     0.500 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.89554E-02 ppm1      2.431 ppm2      1.803 CV     1
 ASSI { 1715}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 75   and name HG2 ))
      3.100     1.200     1.200 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.28634E-02 ppm1      2.341 ppm2      8.631 CV     1
 ASSI { 1717}
   (( segid "SF1 " and resid 75   and name HE21))
   (( segid "SF1 " and resid 75   and name HG2 ))
      3.400     1.500     1.500 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.98680E-03 ppm1      2.345 ppm2      7.523 CV     1
 ASSI { 1720}
   (( segid "SF1 " and resid 75   and name HB2 ))
   (( segid "SF1 " and resid 75   and name HG2 ))
      2.300     0.700     0.700 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.12150E-01 ppm1      2.344 ppm2      1.829 CV     1
 ASSI { 1723}
   (  segid "SF1 " and resid 41   and name HD2%)
   (( segid "SF1 " and resid 92   and name HG1 ))
      2.900     1.100     1.100 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.24242E-02 ppm1      2.336 ppm2      0.698 CV     1
 ASSI { 1725}
   (( segid "SF1 " and resid 85   and name HN  ))
   (( segid "SF1 " and resid 85   and name HG1 ))
      3.800     1.800     1.800 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.16199E-02 ppm1      2.106 ppm2      8.345 CV     1
 ASSI { 1726}
   (  segid "SF1 " and resid 81   and name HE% )
   (( segid "SF1 " and resid 85   and name HG1 ))
      2.900     1.000     1.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.18652E-02 ppm1      2.110 ppm2      7.396 CV     1
 ASSI { 1728}
   (( segid "SF1 " and resid 85   and name HE22))
   (( segid "SF1 " and resid 85   and name HG1 ))
      4.000     2.000     2.000 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.80997E-03 ppm1      2.112 ppm2      6.886 CV     1
 ASSI { 1731}
   (( segid "SF1 " and resid 85   and name HN  ))
   (( segid "SF1 " and resid 85   and name HG2 ))
      2.600     0.800     0.800 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.23272E-02 ppm1      1.961 ppm2      8.345 CV     1
 ASSI { 1732}
   (( segid "SF1 " and resid 86   and name HN  ))
   (( segid "SF1 " and resid 85   and name HG2 ))
      4.500     2.600     1.500 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.40955E-03 ppm1      1.958 ppm2      7.979 CV     1
 ASSI { 1733}
   (  segid "SF1 " and resid 81   and name HE% )
   (( segid "SF1 " and resid 85   and name HG2 ))
      3.500     1.500     1.500 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.94688E-03 ppm1      1.955 ppm2      7.390 CV     1
 ASSI { 1735}
   (( segid "SF1 " and resid 85   and name HE22))
   (( segid "SF1 " and resid 85   and name HG2 ))
      4.000     2.000     2.000 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.77006E-03 ppm1      1.955 ppm2      6.889 CV     1
 ASSI { 1736}
   (( segid "SF1 " and resid 85   and name HA  ))
   (( segid "SF1 " and resid 85   and name HG2 ))
      3.300     1.300     1.300 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.94114E-03 ppm1      1.951 ppm2      3.731 CV     1
 ASSI { 1737}
   (  segid "SF1 " and resid 41   and name HD2%)
   (( segid "SF1 " and resid 92   and name HG2 ))
      2.700     0.900     0.900 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.29375E-02 ppm1      1.891 ppm2      0.697 CV     1
 ASSI { 1739}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 85   and name HG1 ))
      4.200     2.200     1.800 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.36791E-03 ppm1      2.117 ppm2      7.734 CV     1
 ASSI { 1741}
   (( segid "SF1 " and resid 88   and name HN  ))
   (( segid "SF1 " and resid 87   and name HA  ))
      3.900     1.900     1.900 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.40498E-03 ppm1      3.834 ppm2      7.581 CV     1
 ASSI { 1744}
   (( segid "SF1 " and resid 81   and name HN  ))
   (( segid "SF1 " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.12948E-02 ppm1      4.166 ppm2      8.502 CV     1
 ASSI { 1746}
   (  segid "SF1 " and resid 61   and name HD% )
   (( segid "SF1 " and resid 81   and name HA  ))
      3.200     1.300     1.300 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.16028E-02 ppm1      4.166 ppm2      7.083 CV     1
 ASSI { 1747}
   (( segid "SF1 " and resid 61   and name HB2 ))
   (( segid "SF1 " and resid 81   and name HA  ))
      2.900     1.100     1.100 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.18538E-02 ppm1      4.164 ppm2      2.709 CV     1
 ASSI { 1749}
   (( segid "SF1 " and resid 67   and name HN  ))
   (( segid "SF1 " and resid 66   and name HB1 ))
      4.100     2.100     1.900 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.54646E-03 ppm1      3.837 ppm2      9.318 CV     1
 ASSI { 1750}
   (( segid "SF1 " and resid 67   and name HN  ))
   (( segid "SF1 " and resid 66   and name HB2 ))
      4.000     2.000     2.000 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.57612E-03 ppm1      3.780 ppm2      9.315 CV     1
 ASSI { 1751}
   (( segid "SF1 " and resid 66   and name HN  ))
   (( segid "SF1 " and resid 66   and name HB2 ))
      3.200     1.300     1.300 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.15686E-02 ppm1      3.783 ppm2      8.899 CV     1
 ASSI { 1753}
   (( segid "SF1 " and resid 51   and name HN  ))
   (( segid "SF1 " and resid 51   and name HA  ))
      3.300     1.300     1.300 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.95257E-03 ppm1      3.734 ppm2      9.093 CV     1
 ASSI { 1754}
   (( segid "SF1 " and resid 69   and name HN  ))
   (( segid "SF1 " and resid 68   and name HB1 ))
      4.400     2.400     1.600 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.38730E-03 ppm1      3.792 ppm2      9.469 CV     1
 ASSI { 1755}
   (( segid "SF1 " and resid 69   and name HN  ))
   (( segid "SF1 " and resid 68   and name HB2 ))
      4.900     2.900     1.100 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.20648E-03 ppm1      3.728 ppm2      9.478 CV     1
 ASSI { 1756}
   (( segid "SF1 " and resid 68   and name HN  ))
   (( segid "SF1 " and resid 68   and name HB2 ))
      3.400     1.500     1.500 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.96399E-03 ppm1      3.714 ppm2      8.599 CV     1
 ASSI { 1758}
   (  segid "SF1 " and resid 84   and name HE% )
   (( segid "SF1 " and resid 51   and name HA  ))
      3.400     1.400     1.400 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.93545E-03 ppm1      3.732 ppm2      7.040 CV     1
 ASSI { 1759}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 77   and name HB1 ))
      3.200     1.300     1.300 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.20135E-02 ppm1      1.800 ppm2      7.542 CV     1
 ASSI { 1762}
   (( segid "SF1 " and resid 77   and name HN  ))
   (( segid "SF1 " and resid 77   and name HB2 ))
      2.800     1.000     1.000 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.21789E-02 ppm1      1.666 ppm2      7.549 CV     1
 ASSI { 1763}
   (( segid "SF1 " and resid 77   and name HA  ))
   (( segid "SF1 " and resid 77   and name HB2 ))
      3.500     1.500     1.500 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.98680E-03 ppm1      1.665 ppm2      3.990 CV     1
 ASSI { 1764}
   (( segid "SF1 " and resid 77   and name HG2 ))
   (( segid "SF1 " and resid 77   and name HB2 ))
      3.200     1.300     1.300 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.23044E-02 ppm1      1.672 ppm2      1.266 CV     1
 ASSI { 1765}
   (( segid "SF1 " and resid 66   and name HN  ))
   (( segid "SF1 " and resid 66   and name HB1 ))
      3.100     1.200     1.200 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.15857E-02 ppm1      3.844 ppm2      8.894 CV     1
 ASSI { 1767}
   (( segid "SF1 " and resid 23   and name HD21))
   (( segid "SF1 " and resid 21   and name HG2 ))
      3.600     1.600     1.600 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.23386E-03 ppm1      2.263 ppm2      7.493 CV     1
 OR { 1767}
   (( segid "SF1 " and resid 23   and name HD21))
   (( segid "SF1 " and resid 21   and name HG1 ))
 ASSI { 1769}
   (( segid "SF1 " and resid 81   and name HB2 ))
   (( segid "SF1 " and resid 81   and name HA  ))
      2.800     1.000     1.000 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.14146E-02 ppm1      4.164 ppm2      2.850 CV     1
 ASSI { 1770}
   (( segid "SF1 " and resid 81   and name HB1 ))
   (( segid "SF1 " and resid 81   and name HA  ))
      3.700     1.800     1.800 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      4.166 ppm2      3.042 CV     1
 ASSI { 1771}
   (( segid "SF1 " and resid 51   and name HB2 ))
   (( segid "SF1 " and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.12549E-02 ppm1      3.725 ppm2      2.867 CV     1
 ASSI { 1773}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 51   and name HA  ))
      4.500     2.500     1.500 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.41012E-03 ppm1      3.718 ppm2     -0.155 CV     1
 ASSI { 1774}
   (  segid "SF1 " and resid 55   and name HG2%)
   (( segid "SF1 " and resid 51   and name HA  ))
      3.900     1.900     1.900 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.42894E-03 ppm1      3.736 ppm2      0.253 CV     1
 ASSI { 1775}
   (( segid "SF1 " and resid 33   and name HN  ))
   (( segid "SF1 " and resid 33   and name HB1 ))
      2.600     0.900     0.900 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.79855E-02 ppm1      1.799 ppm2      8.889 CV     1
 ASSI { 1776}
   (( segid "SF1 " and resid 73   and name HN  ))
   (( segid "SF1 " and resid 73   and name HB2 ))
      2.200     0.600     0.600 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.87269E-02 ppm1      1.797 ppm2      8.206 CV     1
 OR { 1776}
   (( segid "SF1 " and resid 73   and name HN  ))
   (( segid "SF1 " and resid 73   and name HB1 ))
 ASSI { 1786}
   (( segid "SF1 " and resid 114  and name HA  ))
   (( segid "SF1 " and resid 114  and name HB2 ))
      2.500     0.800     0.800 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.48427E-02 ppm1      1.789 ppm2      3.913 CV     1
 OR { 1786}
   (( segid "SF1 " and resid 114  and name HA  ))
   (( segid "SF1 " and resid 114  and name HB1 ))
 ASSI { 1792}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 73   and name HB2 ))
      2.800     0.900     0.900 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.39414E-02 ppm1      1.804 ppm2      1.191 CV     1
 OR { 1792}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 73   and name HB1 ))
 ASSI { 1793}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 34   and name HB  ))
      2.100     0.500     0.500 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.12834E-01 ppm1      1.856 ppm2      0.659 CV     1
 OR { 1793}
   (  segid "SF1 " and resid 34   and name HG1%)
   (( segid "SF1 " and resid 34   and name HB  ))
 ASSI { 1794}
   (( segid "SF1 " and resid 102  and name HG1 ))
   (( segid "SF1 " and resid 102  and name HB2 ))
      2.500     0.800     0.800 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.66164E-02 ppm1      1.868 ppm2      2.567 CV     1
 ASSI { 1795}
   (( segid "SF1 " and resid 102  and name HG2 ))
   (( segid "SF1 " and resid 102  and name HB2 ))
      2.200     0.600     0.600 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.91265E-02 ppm1      1.868 ppm2      2.406 CV     1
 ASSI { 1796}
   (( segid "SF1 " and resid 120  and name HE1 ))
   (( segid "SF1 " and resid 120  and name HB1 ))
      3.800     1.800     1.800 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.88411E-03 ppm1      1.884 ppm2      2.954 CV     1
 OR { 1796}
   (( segid "SF1 " and resid 120  and name HE2 ))
   (( segid "SF1 " and resid 120  and name HB2 ))
 OR { 1796}
   (( segid "SF1 " and resid 120  and name HE1 ))
   (( segid "SF1 " and resid 120  and name HB2 ))
 OR { 1796}
   (( segid "SF1 " and resid 120  and name HE2 ))
   (( segid "SF1 " and resid 120  and name HB1 ))
 ASSI { 1799}
   (  segid "SF1 " and resid 64   and name HG2%)
   (( segid "SF1 " and resid 64   and name HA  ))
      2.500     0.800     0.800 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.69587E-02 ppm1      4.294 ppm2      1.245 CV     1
 ASSI { 1800}
   (( segid "SF1 " and resid 44   and name HB2 ))
   (( segid "SF1 " and resid 44   and name HB1 ))
      2.300     0.700     0.700 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.26980E-02 ppm1      3.638 ppm2      2.538 CV     1
 ASSI { 1801}
   (( segid "SF1 " and resid 90   and name HB  ))
   (( segid "SF1 " and resid 90   and name HA  ))
      2.400     0.700     0.700 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.57612E-02 ppm1      4.234 ppm2      2.330 CV     1
 ASSI { 1803}
   (( segid "SF1 " and resid 91   and name HN  ))
   (( segid "SF1 " and resid 90   and name HA  ))
      3.600     1.600     1.600 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.54129E-03 ppm1      4.229 ppm2      7.130 CV     1
 ASSI { 1805}
   (( segid "SF1 " and resid 45   and name HN  ))
   (( segid "SF1 " and resid 44   and name HB1 ))
      4.100     2.100     1.900 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.10381E-02 ppm1      3.652 ppm2      9.159 CV     1
 ASSI { 1806}
   (( segid "SF1 " and resid 44   and name HA  ))
   (( segid "SF1 " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.19336E-02 ppm1      3.655 ppm2      5.240 CV     1
 ASSI { 1807}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 34   and name HA  ))
      2.800     1.000     1.000 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.42552E-02 ppm1      3.658 ppm2      0.638 CV     1
 ASSI { 1808}
   (( segid "SF1 " and resid 102  and name HN  ))
   (( segid "SF1 " and resid 102  and name HG1 ))
      4.000     2.000     2.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.84989E-03 ppm1      2.577 ppm2      7.279 CV     1
 ASSI { 1810}
   (( segid "SF1 " and resid 102  and name HN  ))
   (( segid "SF1 " and resid 102  and name HG2 ))
      3.800     1.800     1.800 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.91834E-03 ppm1      2.407 ppm2      7.279 CV     1
 ASSI { 1813}
   (( segid "SF1 " and resid 102  and name HG1 ))
   (( segid "SF1 " and resid 102  and name HB1 ))
      2.100     0.500     0.500 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.13918E-01 ppm1      2.054 ppm2      2.554 CV     1
 ASSI { 1814}
   (( segid "SF1 " and resid 102  and name HG2 ))
   (( segid "SF1 " and resid 102  and name HB1 ))
      2.100     0.500     0.500 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.16542E-01 ppm1      2.052 ppm2      2.400 CV     1
 ASSI { 1817}
   (( segid "SF1 " and resid 70   and name HG1 ))
   (( segid "SF1 " and resid 70   and name HB2 ))
      2.100     0.500     0.500 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.14146E-01 ppm1      1.647 ppm2      1.349 CV     1
 OR { 1817}
   (( segid "SF1 " and resid 70   and name HG1 ))
   (( segid "SF1 " and resid 70   and name HB1 ))
 ASSI { 1819}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (( segid "SF1 " and resid 86   and name HB1 ))
      2.500     0.800     0.800 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.23957E-02 ppm1      2.193 ppm2      1.481 CV     1
 OR { 1819}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (( segid "SF1 " and resid 86   and name HB1 ))
 ASSI { 1822}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 90   and name HA  ))
      2.400     0.700     0.700 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.80428E-02 ppm1      4.234 ppm2      0.914 CV     1
 OR { 1822}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 90   and name HA  ))
 ASSI { 1823}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 59   and name HB1 ))
      3.700     1.800     1.800 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.14431E-02 ppm1      1.081 ppm2      7.708 CV     1
 ASSI { 1827}
   (( segid "SF1 " and resid 12   and name HN  ))
   (( segid "SF1 " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.18652E-02 ppm1      4.104 ppm2      8.313 CV     1
 ASSI { 1828}
   (( segid "SF1 " and resid 35   and name HN  ))
   (( segid "SF1 " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.18937E-02 ppm1      3.661 ppm2      8.983 CV     1
 ASSI { 1829}
   (( segid "SF1 " and resid 34   and name HB  ))
   (( segid "SF1 " and resid 34   and name HA  ))
      2.900     1.000     1.000 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.18709E-02 ppm1      3.655 ppm2      1.850 CV     1
 ASSI { 1833}
   (( segid "SF1 " and resid 29   and name HN  ))
   (( segid "SF1 " and resid 29   and name HB  ))
      2.700     0.900     0.900 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.27094E-02 ppm1      2.982 ppm2      8.806 CV     1
 ASSI { 1836}
   (( segid "SF1 " and resid 103  and name HN  ))
   (( segid "SF1 " and resid 102  and name HG2 ))
      4.500     2.500     1.500 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.44320E-03 ppm1      2.416 ppm2      8.345 CV     1
 ASSI { 1837}
   (( segid "SF1 " and resid 102  and name HA  ))
   (( segid "SF1 " and resid 102  and name HG2 ))
      4.000     2.000     2.000 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.41582E-03 ppm1      2.413 ppm2      4.073 CV     1
 ASSI { 1838}
   (( segid "SF1 " and resid 112  and name HN  ))
   (( segid "SF1 " and resid 112  and name HG1 ))
      3.300     1.400     1.400 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.18652E-02 ppm1      2.054 ppm2      7.395 CV     1
 ASSI { 1839}
   (( segid "SF1 " and resid 112  and name HN  ))
   (( segid "SF1 " and resid 112  and name HG2 ))
      2.700     0.900     0.900 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.19394E-02 ppm1      2.000 ppm2      7.398 CV     1
 ASSI { 1840}
   (( segid "SF1 " and resid 102  and name HB2 ))
   (( segid "SF1 " and resid 102  and name HB1 ))
      1.700     0.400     0.500 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.15401E-01 ppm1      2.052 ppm2      1.870 CV     1
 ASSI { 1841}
   (( segid "SF1 " and resid 112  and name HB2 ))
   (( segid "SF1 " and resid 112  and name HB1 ))
      1.500     0.300     0.700 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.27493E-01 ppm1      2.505 ppm2      2.333 CV     1
 ASSI { 1842}
   (( segid "SF1 " and resid 112  and name HG2 ))
   (( segid "SF1 " and resid 112  and name HB1 ))
      2.000     0.500     0.500 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.14260E-01 ppm1      2.504 ppm2      2.023 CV     1
 OR { 1842}
   (( segid "SF1 " and resid 112  and name HG1 ))
   (( segid "SF1 " and resid 112  and name HB1 ))
 ASSI { 1844}
   (( segid "SF1 " and resid 111  and name HB2 ))
   (( segid "SF1 " and resid 111  and name HB1 ))
      1.800     0.400     0.400 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.13632E-01 ppm1      2.328 ppm2      1.746 CV     1
 ASSI { 1845}
   (( segid "SF1 " and resid 86   and name HB2 ))
   (( segid "SF1 " and resid 86   and name HB1 ))
      1.900     0.400     0.400 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.57612E-02 ppm1      2.195 ppm2      1.842 CV     1
 ASSI { 1847}
   (( segid "SF1 " and resid 124  and name HG1 ))
   (( segid "SF1 " and resid 124  and name HB2 ))
      2.200     0.600     0.600 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.97537E-02 ppm1      1.724 ppm2      1.421 CV     1
 OR { 1847}
   (( segid "SF1 " and resid 124  and name HG2 ))
   (( segid "SF1 " and resid 124  and name HB2 ))
 ASSI { 1848}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 59   and name HB1 ))
      4.000     2.000     2.000 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.11123E-02 ppm1      1.087 ppm2     -0.153 CV     1
 ASSI { 1849}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 59   and name HB2 ))
      2.900     1.000     1.000 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.13404E-02 ppm1      1.012 ppm2     -0.157 CV     1
 ASSI { 1850}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.19793E-02 ppm1      1.013 ppm2      1.292 CV     1
 ASSI { 1851}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 59   and name HB1 ))
      3.000     1.100     1.100 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.24470E-02 ppm1      1.078 ppm2      1.291 CV     1
 ASSI { 1852}
   (( segid "SF1 " and resid 59   and name HD2 ))
   (( segid "SF1 " and resid 59   and name HB1 ))
      3.200     1.300     1.300 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.87269E-03 ppm1      1.062 ppm2      1.573 CV     1
 OR { 1852}
   (( segid "SF1 " and resid 59   and name HD1 ))
   (( segid "SF1 " and resid 59   and name HB1 ))
 ASSI { 1854}
   (( segid "SF1 " and resid 54   and name HA  ))
   (( segid "SF1 " and resid 59   and name HB1 ))
      4.100     2.100     1.900 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.11750E-02 ppm1      1.058 ppm2      3.142 CV     1
 ASSI { 1855}
   (( segid "SF1 " and resid 59   and name HA  ))
   (( segid "SF1 " and resid 59   and name HB1 ))
      3.700     1.700     1.700 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.33653E-03 ppm1      1.073 ppm2      3.740 CV     1
 ASSI { 1858}
   (( segid "SF1 " and resid 112  and name HN  ))
   (( segid "SF1 " and resid 112  and name HB1 ))
      3.100     1.200     1.200 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.91834E-03 ppm1      2.511 ppm2      7.400 CV     1
 ASSI { 1866}
   (( segid "SF1 " and resid 63   and name HN  ))
   (( segid "SF1 " and resid 62   and name HA  ))
      2.300     0.600     0.600 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.70160E-02 ppm1      4.309 ppm2      8.412 CV     1
 ASSI { 1867}
   (  segid "SF1 " and resid 62   and name HG2%)
   (( segid "SF1 " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.38160E-02 ppm1      4.304 ppm2      1.014 CV     1
 ASSI { 1868}
   (  segid "SF1 " and resid 15   and name HG2%)
   (( segid "SF1 " and resid 15   and name HA  ))
      3.600     1.600     1.600 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.82709E-03 ppm1      4.300 ppm2      1.135 CV     1
 ASSI { 1874}
   (( segid "SF1 " and resid 113  and name HN  ))
   (( segid "SF1 " and resid 112  and name HB1 ))
      4.800     2.800     1.200 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.28805E-03 ppm1      2.504 ppm2      7.730 CV     1
 ASSI { 1875}
   (( segid "SF1 " and resid 113  and name HN  ))
   (( segid "SF1 " and resid 112  and name HB2 ))
      4.100     2.200     1.900 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.44092E-03 ppm1      2.344 ppm2      7.735 CV     1
 ASSI { 1876}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.42381E-02 ppm1      1.880 ppm2      0.910 CV     1
 ASSI { 1877}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 28   and name HB1 ))
      3.100     1.200     1.200 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.55444E-02 ppm1      2.406 ppm2      0.911 CV     1
 ASSI { 1879}
   (( segid "SF1 " and resid 48   and name HN  ))
   (( segid "SF1 " and resid 48   and name HB1 ))
      3.000     1.100     1.100 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.11123E-02 ppm1      1.756 ppm2      7.147 CV     1
 ASSI { 1881}
   (( segid "SF1 " and resid 74   and name HN  ))
   (( segid "SF1 " and resid 73   and name HB2 ))
      2.300     0.600     0.600 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.86131E-02 ppm1      1.797 ppm2      7.869 CV     1
 OR { 1881}
   (( segid "SF1 " and resid 74   and name HN  ))
   (( segid "SF1 " and resid 73   and name HB1 ))
 ASSI { 1884}
   (( segid "SF1 " and resid 12   and name HN  ))
   (( segid "SF1 " and resid 11   and name HB  ))
      3.900     1.900     1.900 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.50081E-03 ppm1      2.023 ppm2      8.330 CV     1
 ASSI { 1885}
   (( segid "SF1 " and resid 102  and name HB1 ))
   (( segid "SF1 " and resid 102  and name HG1 ))
      2.400     0.700     0.700 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.60461E-02 ppm1      2.578 ppm2      2.047 CV     1
 OR { 1885}
   (  segid "SF1 " and resid 102  and name HE% )
   (( segid "SF1 " and resid 102  and name HG1 ))
 ASSI { 1886}
   (( segid "SF1 " and resid 102  and name HB1 ))
   (( segid "SF1 " and resid 102  and name HG2 ))
      2.600     0.800     0.800 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.42837E-02 ppm1      2.409 ppm2      2.043 CV     1
 OR { 1886}
   (  segid "SF1 " and resid 102  and name HE% )
   (( segid "SF1 " and resid 102  and name HG2 ))
 ASSI { 1887}
   (( segid "SF1 " and resid 112  and name HB2 ))
   (( segid "SF1 " and resid 112  and name HG1 ))
      2.000     0.500     0.500 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.11294E-01 ppm1      2.053 ppm2      2.332 CV     1
 ASSI { 1888}
   (( segid "SF1 " and resid 112  and name HB2 ))
   (( segid "SF1 " and resid 112  and name HG2 ))
      2.400     0.700     0.700 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.94688E-02 ppm1      2.004 ppm2      2.327 CV     1
 ASSI { 1889}
   (( segid "SF1 " and resid 112  and name HB1 ))
   (( segid "SF1 " and resid 112  and name HG1 ))
      2.400     0.700     0.700 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.12150E-01 ppm1      2.059 ppm2      2.503 CV     1
 ASSI { 1890}
   (( segid "SF1 " and resid 112  and name HB1 ))
   (( segid "SF1 " and resid 112  and name HG2 ))
      1.900     0.500     0.500 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.13233E-01 ppm1      2.005 ppm2      2.496 CV     1
 ASSI { 1894}
   (( segid "SF1 " and resid 98   and name HG2 ))
   (( segid "SF1 " and resid 98   and name HD1 ))
      2.900     1.100     1.100 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.15344E-02 ppm1      3.477 ppm2      1.833 CV     1
 ASSI { 1895}
   (( segid "SF1 " and resid 98   and name HG2 ))
   (( segid "SF1 " and resid 98   and name HD2 ))
      2.900     1.000     1.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.20192E-02 ppm1      3.354 ppm2      1.829 CV     1
 ASSI { 1896}
   (( segid "SF1 " and resid 98   and name HG1 ))
   (( segid "SF1 " and resid 98   and name HD1 ))
      3.000     1.200     1.200 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.14203E-02 ppm1      3.479 ppm2      2.146 CV     1
 OR { 1896}
   (( segid "SF1 " and resid 98   and name HB1 ))
   (( segid "SF1 " and resid 98   and name HD1 ))
 ASSI { 1897}
   (( segid "SF1 " and resid 98   and name HG1 ))
   (( segid "SF1 " and resid 98   and name HD2 ))
      3.000     1.100     1.100 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.16256E-02 ppm1      3.356 ppm2      2.158 CV     1
 OR { 1897}
   (( segid "SF1 " and resid 98   and name HB1 ))
   (( segid "SF1 " and resid 98   and name HD2 ))
 ASSI { 1898}
   (( segid "SF1 " and resid 102  and name HB1 ))
   (( segid "SF1 " and resid 98   and name HD2 ))
      3.300     1.400     1.400 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.73583E-03 ppm1      3.353 ppm2      2.064 CV     1
 ASSI { 1899}
   (( segid "SF1 " and resid 102  and name HB1 ))
   (( segid "SF1 " and resid 98   and name HD1 ))
      3.600     1.600     1.600 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.53103E-03 ppm1      3.479 ppm2      2.055 CV     1
 ASSI { 1901}
   (( segid "SF1 " and resid 13   and name HN  ))
   (( segid "SF1 " and resid 14   and name HA1 ))
      4.100     2.100     1.900 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.48142E-03 ppm1      3.959 ppm2      8.244 CV     1
 OR { 1901}
   (( segid "SF1 " and resid 13   and name HN  ))
   (( segid "SF1 " and resid 14   and name HA2 ))
 ASSI { 1903}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 108  and name HG1 ))
      3.600     1.700     1.700 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.46544E-03 ppm1      1.077 ppm2      7.122 CV     1
 ASSI { 1904}
   (( segid "SF1 " and resid 108  and name HE1 ))
   (( segid "SF1 " and resid 108  and name HB2 ))
      4.200     2.200     1.800 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.46886E-03 ppm1      1.626 ppm2      2.731 CV     1
 OR { 1904}
   (( segid "SF1 " and resid 108  and name HE2 ))
   (( segid "SF1 " and resid 108  and name HB2 ))
 OR { 1904}
   (( segid "SF1 " and resid 108  and name HE1 ))
   (( segid "SF1 " and resid 108  and name HB1 ))
 OR { 1904}
   (( segid "SF1 " and resid 108  and name HE2 ))
   (( segid "SF1 " and resid 108  and name HB1 ))
 ASSI { 1905}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 59   and name HE2 ))
      4.700     2.700     1.300 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.42552E-03 ppm1      2.913 ppm2     -0.158 CV     1
 OR { 1905}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 59   and name HE1 ))
 ASSI { 1906}
   (( segid "SF1 " and resid 48   and name HD2 ))
   (( segid "SF1 " and resid 48   and name HE2 ))
      3.400     1.400     1.400 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.71298E-03 ppm1      2.791 ppm2      0.432 CV     1
 ASSI { 1907}
   (( segid "SF1 " and resid 48   and name HG2 ))
   (( segid "SF1 " and resid 48   and name HE2 ))
      3.500     1.500     1.500 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.75863E-03 ppm1      2.783 ppm2      0.841 CV     1
 ASSI { 1908}
   (( segid "SF1 " and resid 48   and name HG2 ))
   (( segid "SF1 " and resid 48   and name HE1 ))
      3.400     1.400     1.400 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.95826E-03 ppm1      2.849 ppm2      0.866 CV     1
 ASSI { 1909}
   (( segid "SF1 " and resid 77   and name HD2 ))
   (( segid "SF1 " and resid 77   and name HE2 ))
      2.200     0.600     0.600 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.11750E-01 ppm1      3.033 ppm2      1.643 CV     1
 OR { 1909}
   (( segid "SF1 " and resid 77   and name HD2 ))
   (( segid "SF1 " and resid 77   and name HE1 ))
 ASSI { 1916}
   (( segid "SF1 " and resid 77   and name HG2 ))
   (( segid "SF1 " and resid 77   and name HB1 ))
      2.200     0.600     0.600 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.54702E-02 ppm1      1.804 ppm2      1.263 CV     1
 ASSI { 1917}
   (( segid "SF1 " and resid 77   and name HG1 ))
   (( segid "SF1 " and resid 77   and name HB2 ))
      2.400     0.700     0.700 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.36848E-02 ppm1      1.669 ppm2      1.357 CV     1
 ASSI { 1919}
   (( segid "SF1 " and resid 76   and name HN  ))
   (( segid "SF1 " and resid 76   and name HB2 ))
      4.600     2.600     1.400 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.30231E-03 ppm1      1.214 ppm2      7.957 CV     1
 ASSI { 1922}
   (( segid "SF1 " and resid 76   and name HA  ))
   (( segid "SF1 " and resid 76   and name HB2 ))
      3.300     1.300     1.300 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.79855E-03 ppm1      1.219 ppm2      3.936 CV     1
 ASSI { 1923}
   (( segid "SF1 " and resid 69   and name HN  ))
   (  segid "SF1 " and resid 71   and name HD1%)
      4.400     2.400     1.600 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.32627E-03 ppm1      0.437 ppm2      9.460 CV     1
 ASSI { 1924}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 59   and name HB2 ))
      2.900     1.100     1.100 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.11009E-02 ppm1      1.020 ppm2      7.707 CV     1
 ASSI { 1925}
   (( segid "SF1 " and resid 26   and name HB1 ))
   (( segid "SF1 " and resid 31   and name HA1 ))
      4.900     3.000     1.100 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.16085E-03 ppm1      4.224 ppm2      1.615 CV     1
 ASSI { 1926}
   (( segid "SF1 " and resid 26   and name HB1 ))
   (( segid "SF1 " and resid 31   and name HA2 ))
      3.200     1.300     1.300 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.61604E-03 ppm1      3.754 ppm2      1.612 CV     1
 ASSI { 1927}
   (( segid "SF1 " and resid 26   and name HB2 ))
   (( segid "SF1 " and resid 31   and name HA1 ))
      5.600     3.900     0.400 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.18310E-03 ppm1      4.235 ppm2      1.127 CV     1
 ASSI { 1928}
   (  segid "SF1 " and resid 26   and name HD1%)
   (( segid "SF1 " and resid 31   and name HA2 ))
      5.100     3.300     0.900 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.11693E-03 ppm1      3.755 ppm2      0.874 CV     1
 ASSI { 1929}
   (( segid "SF1 " and resid 105  and name HN  ))
   (( segid "SF1 " and resid 105  and name HA1 ))
      3.500     1.500     1.500 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.67306E-03 ppm1      3.813 ppm2      8.547 CV     1
 ASSI { 1931}
   (( segid "SF1 " and resid 76   and name HG2 ))
   (( segid "SF1 " and resid 76   and name HD1 ))
      3.100     1.200     1.200 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.60461E-03 ppm1      2.930 ppm2      1.160 CV     1
 ASSI { 1932}
   (( segid "SF1 " and resid 76   and name HG1 ))
   (( segid "SF1 " and resid 76   and name HD2 ))
      3.200     1.300     1.300 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.59324E-03 ppm1      2.721 ppm2      1.700 CV     1
 ASSI { 1933}
   (( segid "SF1 " and resid 76   and name HG1 ))
   (( segid "SF1 " and resid 76   and name HD1 ))
      3.700     1.700     1.700 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.60461E-03 ppm1      2.939 ppm2      1.695 CV     1
 ASSI { 1938}
   (( segid "SF1 " and resid 30   and name HN  ))
   (( segid "SF1 " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.73009E-03 ppm1      1.948 ppm2      7.563 CV     1
 ASSI { 1940}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 67   and name HG1 ))
      4.500     2.600     1.500 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.39985E-03 ppm1      2.150 ppm2      7.719 CV     1
 ASSI { 1941}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 67   and name HG2 ))
      3.600     1.600     1.600 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.48484E-03 ppm1      1.875 ppm2      7.732 CV     1
 ASSI { 1943}
   (( segid "SF1 " and resid 66   and name HN  ))
   (( segid "SF1 " and resid 65   and name HG1 ))
      4.100     2.100     1.900 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.99822E-03 ppm1      2.320 ppm2      8.891 CV     1
 ASSI { 1944}
   (( segid "SF1 " and resid 65   and name HN  ))
   (( segid "SF1 " and resid 65   and name HG1 ))
      3.200     1.200     1.200 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.15173E-02 ppm1      2.322 ppm2      9.269 CV     1
 ASSI { 1945}
   (( segid "SF1 " and resid 76   and name HB1 ))
   (( segid "SF1 " and resid 30   and name HB1 ))
      2.900     1.100     1.100 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.23843E-02 ppm1      2.720 ppm2      1.827 CV     1
 ASSI { 1946}
   (( segid "SF1 " and resid 56   and name HB1 ))
   (( segid "SF1 " and resid 56   and name HG1 ))
      2.700     0.900     0.900 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.39985E-02 ppm1      2.616 ppm2      2.012 CV     1
 ASSI { 1947}
   (( segid "SF1 " and resid 98   and name HN  ))
   (( segid "SF1 " and resid 97   and name HA  ))
      3.000     1.100     1.100 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.13348E-02 ppm1      4.582 ppm2      0.065 CV     1
 ASSI { 1948}
   (  segid "SF1 " and resid 97   and name HG2%)
   (( segid "SF1 " and resid 97   and name HA  ))
      3.400     1.500     1.500 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.80997E-03 ppm1      4.575 ppm2      0.631 CV     1
 ASSI { 1949}
   (  segid "SF1 " and resid 97   and name HG1%)
   (( segid "SF1 " and resid 97   and name HA  ))
      3.300     1.400     1.400 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.11294E-02 ppm1      4.579 ppm2      0.819 CV     1
 ASSI { 1953}
   (( segid "SF1 " and resid 28   and name HG1 ))
   (( segid "SF1 " and resid 28   and name HA  ))
      3.900     1.900     1.900 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      4.466 ppm2      2.265 CV     1
 ASSI { 1958}
   (  segid "SF1 " and resid 41   and name HD1%)
   (( segid "SF1 " and resid 87   and name HA  ))
      3.900     1.900     1.900 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      3.819 ppm2      0.705 CV     1
 OR { 1958}
   (  segid "SF1 " and resid 41   and name HD2%)
   (( segid "SF1 " and resid 87   and name HA  ))
 ASSI { 1959}
   (( segid "SF1 " and resid 87   and name HB2 ))
   (( segid "SF1 " and resid 87   and name HA  ))
      3.300     1.300     1.300 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.14545E-02 ppm1      3.824 ppm2      3.088 CV     1
 ASSI { 1960}
   (( segid "SF1 " and resid 94   and name HN  ))
   (( segid "SF1 " and resid 93   and name HD1 ))
      3.300     1.400     1.400 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.12834E-02 ppm1      3.003 ppm2      8.815 CV     1
 ASSI { 1961}
   (( segid "SF1 " and resid 94   and name HN  ))
   (( segid "SF1 " and resid 93   and name HD2 ))
      3.500     1.500     1.500 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.14488E-02 ppm1      2.857 ppm2      8.825 CV     1
 ASSI { 1966}
   (( segid "SF1 " and resid 56   and name HB1 ))
   (( segid "SF1 " and resid 53   and name HA  ))
      3.500     1.500     1.500 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.27265E-02 ppm1      3.982 ppm2      2.018 CV     1
 ASSI { 1967}
   (( segid "SF1 " and resid 101  and name HG2 ))
   (( segid "SF1 " and resid 101  and name HD1 ))
      2.500     0.800     0.800 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.50651E-02 ppm1      3.275 ppm2      1.954 CV     1
 OR { 1967}
   (( segid "SF1 " and resid 101  and name HB1 ))
   (( segid "SF1 " and resid 101  and name HD1 ))
 ASSI { 1968}
   (( segid "SF1 " and resid 101  and name HG2 ))
   (( segid "SF1 " and resid 101  and name HD2 ))
      2.300     0.700     0.700 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.72440E-02 ppm1      3.155 ppm2      1.959 CV     1
 OR { 1968}
   (( segid "SF1 " and resid 101  and name HB1 ))
   (( segid "SF1 " and resid 101  and name HD2 ))
 ASSI { 1969}
   (( segid "SF1 " and resid 101  and name HA  ))
   (( segid "SF1 " and resid 101  and name HD2 ))
      3.000     1.100     1.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.18538E-02 ppm1      3.162 ppm2      3.774 CV     1
 ASSI { 1970}
   (( segid "SF1 " and resid 101  and name HA  ))
   (( segid "SF1 " and resid 101  and name HD1 ))
      2.800     1.000     1.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.16941E-02 ppm1      3.261 ppm2      3.794 CV     1
 ASSI { 1972}
   (( segid "SF1 " and resid 58   and name HN  ))
   (( segid "SF1 " and resid 58   and name HB1 ))
      3.600     1.600     1.600 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.18595E-02 ppm1      2.963 ppm2      7.537 CV     1
 ASSI { 1976}
   (( segid "SF1 " and resid 48   and name HG1 ))
   (( segid "SF1 " and resid 48   and name HD1 ))
      3.000     1.100     1.100 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.16427E-02 ppm1      1.190 ppm2      1.761 CV     1
 OR { 1976}
   (( segid "SF1 " and resid 48   and name HB1 ))
   (( segid "SF1 " and resid 48   and name HD1 ))
 ASSI { 1977}
   (( segid "SF1 " and resid 48   and name HG2 ))
   (( segid "SF1 " and resid 48   and name HD1 ))
      3.400     1.500     1.500 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.55555E-03 ppm1      1.205 ppm2      0.835 CV     1
 ASSI { 1978}
   (( segid "SF1 " and resid 48   and name HG2 ))
   (( segid "SF1 " and resid 48   and name HD2 ))
      4.000     2.000     2.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.34224E-03 ppm1      0.442 ppm2      0.827 CV     1
 ASSI { 1979}
   (( segid "SF1 " and resid 48   and name HG1 ))
   (( segid "SF1 " and resid 48   and name HD2 ))
      3.900     1.900     1.900 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.28178E-03 ppm1      0.429 ppm2      1.727 CV     1
 OR { 1979}
   (( segid "SF1 " and resid 48   and name HB1 ))
   (( segid "SF1 " and resid 48   and name HD2 ))
 ASSI { 1981}
   (  segid "SF1 " and resid 43   and name HG2%)
   (( segid "SF1 " and resid 92   and name HG2 ))
      3.300     1.300     1.300 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.80428E-03 ppm1      1.887 ppm2      1.344 CV     1
 ASSI { 1986}
   (( segid "SF1 " and resid 85   and name HB2 ))
   (( segid "SF1 " and resid 85   and name HG2 ))
      2.100     0.600     0.600 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.98680E-02 ppm1      1.955 ppm2      1.823 CV     1
 ASSI { 1987}
   (( segid "SF1 " and resid 85   and name HG2 ))
   (( segid "SF1 " and resid 85   and name HG1 ))
      1.600     0.300     0.600 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.30573E-01 ppm1      2.108 ppm2      1.955 CV     1
 OR { 1987}
   (( segid "SF1 " and resid 85   and name HB1 ))
   (( segid "SF1 " and resid 85   and name HG1 ))
 ASSI { 1988}
   (( segid "SF1 " and resid 85   and name HG1 ))
   (( segid "SF1 " and resid 85   and name HG2 ))
      1.500     0.300     0.700 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.29033E-01 ppm1      1.956 ppm2      2.095 CV     1
 ASSI { 1989}
   (( segid "SF1 " and resid 21   and name HB1 ))
   (( segid "SF1 " and resid 21   and name HG2 ))
      2.000     0.500     0.500 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.21104E-01 ppm1      2.256 ppm2      2.003 CV     1
 OR { 1989}
   (( segid "SF1 " and resid 21   and name HB1 ))
   (( segid "SF1 " and resid 21   and name HG1 ))
 ASSI { 1990}
   (( segid "SF1 " and resid 21   and name HB2 ))
   (( segid "SF1 " and resid 21   and name HG1 ))
      2.400     0.700     0.700 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.74152E-02 ppm1      2.253 ppm2      1.909 CV     1
 OR { 1990}
   (( segid "SF1 " and resid 21   and name HB2 ))
   (( segid "SF1 " and resid 21   and name HG2 ))
 ASSI { 1992}
   (( segid "SF1 " and resid 122  and name HB1 ))
   (( segid "SF1 " and resid 122  and name HG2 ))
      1.800     1.800     4.200 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.28463E-01 ppm1      2.383 ppm2      2.110 CV     1
 ASSI { 1993}
   (( segid "SF1 " and resid 82   and name HA  ))
   (( segid "SF1 " and resid 85   and name HG1 ))
      4.300     2.300     1.700 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.31429E-03 ppm1      2.098 ppm2      4.004 CV     1
 ASSI { 1995}
   (( segid "SF1 " and resid 78   and name HD1 ))
   (( segid "SF1 " and resid 75   and name HG1 ))
      4.000     2.000     2.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.84420E-03 ppm1      2.429 ppm2      3.223 CV     1
 OR { 1995}
   (( segid "SF1 " and resid 78   and name HD2 ))
   (( segid "SF1 " and resid 75   and name HG1 ))
 ASSI { 1996}
   (( segid "SF1 " and resid 78   and name HD2 ))
   (( segid "SF1 " and resid 75   and name HG2 ))
      3.200     1.200     1.200 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.94688E-03 ppm1      2.348 ppm2      3.229 CV     1
 OR { 1996}
   (( segid "SF1 " and resid 78   and name HD1 ))
   (( segid "SF1 " and resid 75   and name HG2 ))
 ASSI { 1997}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 85   and name HG2 ))
      3.800     1.800     1.800 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.37019E-03 ppm1      1.953 ppm2      7.721 CV     1
 ASSI { 1998}
   (( segid "SF1 " and resid 86   and name HN  ))
   (( segid "SF1 " and resid 85   and name HG1 ))
      5.000     3.200     1.000 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.28862E-03 ppm1      2.096 ppm2      7.971 CV     1
 ASSI { 2001}
   (( segid "SF1 " and resid 95   and name HN  ))
   (( segid "SF1 " and resid 94   and name HB1 ))
      3.000     1.100     1.100 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.15058E-02 ppm1      1.805 ppm2     -0.280 CV     1
 ASSI { 2004}
   (( segid "SF1 " and resid 29   and name HA  ))
   (( segid "SF1 " and resid 86   and name HE2 ))
      3.500     1.500     1.500 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.87269E-03 ppm1      3.107 ppm2      3.685 CV     1
 ASSI { 2006}
   (( segid "SF1 " and resid 86   and name HE2 ))
   (( segid "SF1 " and resid 86   and name HE1 ))
      1.900     0.400     0.400 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.83846E-02 ppm1      3.266 ppm2      3.095 CV     1
 ASSI { 2009}
   (( segid "SF1 " and resid 98   and name HB1 ))
   (( segid "SF1 " and resid 98   and name HB2 ))
      2.100     0.500     0.500 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.52646E-02 ppm1      1.733 ppm2      2.142 CV     1
 OR { 2009}
   (( segid "SF1 " and resid 98   and name HG1 ))
   (( segid "SF1 " and resid 98   and name HB2 ))
 ASSI { 2010}
   (( segid "SF1 " and resid 93   and name HD2 ))
   (( segid "SF1 " and resid 93   and name HB1 ))
      3.200     1.300     1.300 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      1.738 ppm2      2.874 CV     1
 ASSI { 2011}
   (( segid "SF1 " and resid 86   and name HA  ))
   (( segid "SF1 " and resid 86   and name HD2 ))
      3.300     1.400     1.400 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      1.736 ppm2      4.167 CV     1
 ASSI { 2014}
   (  segid "SF1 " and resid 43   and name HG2%)
   (( segid "SF1 " and resid 43   and name HB  ))
      3.100     1.200     1.200 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.10381E-02 ppm1      4.842 ppm2      1.334 CV     1
 ASSI { 2015}
   (( segid "SF1 " and resid 40   and name HA2 ))
   (( segid "SF1 " and resid 40   and name HA1 ))
      2.400     0.700     0.700 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.25041E-02 ppm1      4.474 ppm2      3.239 CV     1
 ASSI { 2016}
   (( segid "SF1 " and resid 92   and name HG2 ))
   (( segid "SF1 " and resid 92   and name HA  ))
      3.100     1.200     1.200 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.94114E-03 ppm1      4.246 ppm2      1.873 CV     1
 ASSI { 2018}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (( segid "SF1 " and resid 92   and name HA  ))
      4.500     2.600     1.500 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.28064E-03 ppm1      4.246 ppm2      2.305 CV     1
 ASSI { 2019}
   (( segid "SF1 " and resid 112  and name HG2 ))
   (( segid "SF1 " and resid 109  and name HA  ))
      2.900     1.000     1.000 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.19336E-02 ppm1      4.377 ppm2      2.037 CV     1
 OR { 2019}
   (( segid "SF1 " and resid 112  and name HG1 ))
   (( segid "SF1 " and resid 109  and name HA  ))
 ASSI { 2020}
   (( segid "SF1 " and resid 20   and name HB2 ))
   (( segid "SF1 " and resid 20   and name HA  ))
      3.300     1.400     1.400 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.11009E-02 ppm1      4.538 ppm2      2.969 CV     1
 ASSI { 2023}
   (( segid "SF1 " and resid 97   and name HN  ))
   (( segid "SF1 " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      4.329 ppm2      7.717 CV     1
 ASSI { 2024}
   (  segid "SF1 " and resid 71   and name HG2%)
   (( segid "SF1 " and resid 30   and name HA  ))
      3.200     1.300     1.300 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.10153E-02 ppm1      4.863 ppm2      0.514 CV     1
 ASSI { 2026}
   (( segid "SF1 " and resid 30   and name HB2 ))
   (( segid "SF1 " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.29262E-02 ppm1      4.862 ppm2      1.927 CV     1
 ASSI { 2027}
   (( segid "SF1 " and resid 30   and name HB1 ))
   (( segid "SF1 " and resid 30   and name HA  ))
      3.500     1.500     1.500 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.61035E-03 ppm1      4.863 ppm2      2.693 CV     1
 ASSI { 2029}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 109  and name HA  ))
      2.800     0.900     0.900 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.29604E-02 ppm1      4.379 ppm2      8.173 CV     1
 ASSI { 2032}
   (( segid "SF1 " and resid 72   and name HB1 ))
   (( segid "SF1 " and resid 73   and name HB2 ))
      3.500     1.500     1.500 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.17797E-02 ppm1      1.793 ppm2      3.152 CV     1
 OR { 2032}
   (( segid "SF1 " and resid 72   and name HB1 ))
   (( segid "SF1 " and resid 73   and name HB1 ))
 ASSI { 2033}
   (( segid "SF1 " and resid 113  and name HB1 ))
   (( segid "SF1 " and resid 114  and name HB1 ))
      3.400     1.400     1.400 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.19165E-02 ppm1      1.799 ppm2      2.714 CV     1
 OR { 2033}
   (( segid "SF1 " and resid 113  and name HB1 ))
   (( segid "SF1 " and resid 114  and name HB2 ))
 ASSI { 2034}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 119  and name HB1 ))
      3.000     1.200     1.200 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.22246E-02 ppm1      1.856 ppm2      7.864 CV     1
 ASSI { 2035}
   (( segid "SF1 " and resid 120  and name HN  ))
   (( segid "SF1 " and resid 119  and name HB2 ))
      2.800     1.000     1.000 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.19165E-02 ppm1      1.621 ppm2      7.866 CV     1
 ASSI { 2037}
   (( segid "SF1 " and resid 94   and name HB2 ))
   (( segid "SF1 " and resid 94   and name HB1 ))
      1.700     0.400     0.500 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.13804E-01 ppm1      1.809 ppm2      1.548 CV     1
 ASSI { 2038}
   (( segid "SF1 " and resid 94   and name HA  ))
   (( segid "SF1 " and resid 94   and name HB1 ))
      3.900     1.900     1.900 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.31258E-03 ppm1      1.820 ppm2      4.026 CV     1
 ASSI { 2039}
   (( segid "SF1 " and resid 98   and name HN  ))
   (( segid "SF1 " and resid 98   and name HG1 ))
      4.000     2.000     2.000 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.40156E-03 ppm1      2.168 ppm2      0.060 CV     1
 ASSI { 2040}
   (( segid "SF1 " and resid 98   and name HG2 ))
   (( segid "SF1 " and resid 98   and name HG1 ))
      2.000     0.500     0.500 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.51793E-02 ppm1      2.160 ppm2      1.823 CV     1
 ASSI { 2042}
   (( segid "SF1 " and resid 98   and name HN  ))
   (( segid "SF1 " and resid 98   and name HB1 ))
      3.900     1.900     1.900 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.64452E-03 ppm1      2.175 ppm2      0.066 CV     1
 ASSI { 2043}
   (( segid "SF1 " and resid 47   and name HN  ))
   (( segid "SF1 " and resid 47   and name HB1 ))
      4.000     2.000     2.000 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.10267E-02 ppm1      2.993 ppm2     -0.095 CV     1
 ASSI { 2050}
   (  segid "SF1 " and resid 113  and name HE% )
   (( segid "SF1 " and resid 40   and name HA1 ))
      2.800     2.800     3.200 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.98111E-03 ppm1      4.476 ppm2      6.474 CV     1
 OR { 2050}
   (  segid "SF1 " and resid 113  and name HD% )
   (( segid "SF1 " and resid 40   and name HA1 ))
 ASSI { 2051}
   (( segid "SF1 " and resid 40   and name HN  ))
   (( segid "SF1 " and resid 40   and name HA1 ))
      3.100     1.200     1.200 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.13348E-02 ppm1      4.480 ppm2      8.347 CV     1
 ASSI { 2053}
   (( segid "SF1 " and resid 105  and name HN  ))
   (( segid "SF1 " and resid 104  and name HA1 ))
      3.800     1.800     1.800 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.42837E-03 ppm1      3.939 ppm2      8.572 CV     1
 OR { 2053}
   (( segid "SF1 " and resid 105  and name HN  ))
   (( segid "SF1 " and resid 104  and name HA2 ))
 ASSI { 2054}
   (  segid "SF1 " and resid 84   and name HE% )
   (  segid "SF1 " and resid 54   and name HG2%)
      3.200     1.300     1.300 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.13290E-02 ppm1     -0.145 ppm2      7.050 CV     1
 ASSI { 2055}
   (  segid "SF1 " and resid 51   and name HE% )
   (  segid "SF1 " and resid 55   and name HG2%)
      3.100     1.200     1.200 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.12206E-02 ppm1      0.256 ppm2      6.789 CV     1
 ASSI { 2056}
   (  segid "SF1 " and resid 51   and name HD% )
   (  segid "SF1 " and resid 55   and name HG2%)
      3.500     1.500     1.500 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.74721E-03 ppm1      0.258 ppm2      7.123 CV     1
 ASSI { 2057}
   (  segid "SF1 " and resid 51   and name HD% )
   (( segid "SF1 " and resid 51   and name HB1 ))
      3.500     1.500     1.500 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.52762E-03 ppm1      3.331 ppm2      7.093 CV     1
 ASSI { 2058}
   (  segid "SF1 " and resid 51   and name HD% )
   (( segid "SF1 " and resid 51   and name HB2 ))
      3.300     1.400     1.400 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.82709E-03 ppm1      2.897 ppm2      7.118 CV     1
 ASSI { 2059}
   (( segid "SF1 " and resid 84   and name HZ  ))
   (  segid "SF1 " and resid 55   and name HG2%)
      3.000     1.100     1.100 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.21675E-02 ppm1      0.255 ppm2      6.924 CV     1
 ASSI { 2060}
   (( segid "SF1 " and resid 51   and name HB1 ))
   (( segid "SF1 " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.17568E-02 ppm1      3.728 ppm2      3.346 CV     1
 ASSI { 2061}
   (( segid "SF1 " and resid 54   and name HG1 ))
   (( segid "SF1 " and resid 51   and name HA  ))
      3.200     1.200     1.200 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      3.726 ppm2      4.050 CV     1
 ASSI { 2063}
   (( segid "SF1 " and resid 93   and name HB2 ))
   (( segid "SF1 " and resid 93   and name HA  ))
      2.900     1.000     1.000 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.22246E-02 ppm1      4.535 ppm2      1.460 CV     1
 OR { 2063}
   (( segid "SF1 " and resid 93   and name HG2 ))
   (( segid "SF1 " and resid 93   and name HA  ))
 ASSI { 2065}
   (( segid "SF1 " and resid 93   and name HD2 ))
   (( segid "SF1 " and resid 93   and name HA  ))
      3.400     1.400     1.400 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.11864E-02 ppm1      4.537 ppm2      2.852 CV     1
 ASSI { 2066}
   (( segid "SF1 " and resid 93   and name HD1 ))
   (( segid "SF1 " and resid 93   and name HA  ))
      3.700     1.700     1.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.34509E-03 ppm1      4.534 ppm2      3.007 CV     1
 ASSI { 2067}
   (( segid "SF1 " and resid 59   and name HE2 ))
   (( segid "SF1 " and resid 59   and name HB1 ))
      4.400     2.400     1.600 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.38673E-03 ppm1      1.077 ppm2      2.903 CV     1
 OR { 2067}
   (( segid "SF1 " and resid 59   and name HE1 ))
   (( segid "SF1 " and resid 59   and name HB1 ))
 ASSI { 2068}
   (( segid "SF1 " and resid 59   and name HE2 ))
   (( segid "SF1 " and resid 59   and name HB2 ))
      4.400     2.400     1.600 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.48940E-03 ppm1      1.012 ppm2      2.908 CV     1
 OR { 2068}
   (( segid "SF1 " and resid 59   and name HE1 ))
   (( segid "SF1 " and resid 59   and name HB2 ))
 ASSI { 2069}
   (( segid "SF1 " and resid 92   and name HB2 ))
   (( segid "SF1 " and resid 92   and name HB1 ))
      2.300     0.600     0.600 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.22873E-02 ppm1      0.870 ppm2      0.628 CV     1
 ASSI { 2070}
   (( segid "SF1 " and resid 92   and name HN  ))
   (( segid "SF1 " and resid 92   and name HB1 ))
      4.400     2.400     1.600 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.41981E-03 ppm1      0.878 ppm2      7.976 CV     1
 ASSI { 2071}
   (( segid "SF1 " and resid 92   and name HN  ))
   (( segid "SF1 " and resid 92   and name HB2 ))
      3.600     1.700     1.700 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.25725E-03 ppm1      0.628 ppm2      7.995 CV     1
 ASSI { 2072}
   (( segid "SF1 " and resid 60   and name HN  ))
   (( segid "SF1 " and resid 59   and name HB2 ))
      4.900     3.000     1.100 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.28748E-03 ppm1      1.021 ppm2      8.194 CV     1
 ASSI { 2073}
   (( segid "SF1 " and resid 60   and name HN  ))
   (( segid "SF1 " and resid 59   and name HB1 ))
      3.500     1.600     1.600 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.44890E-03 ppm1      1.074 ppm2      8.202 CV     1
 ASSI { 2076}
   (  segid "SF1 " and resid 84   and name HE% )
   (( segid "SF1 " and resid 81   and name HA  ))
      3.700     3.700     2.300 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.13519E-02 ppm1      4.164 ppm2      7.039 CV     1
 ASSI { 2077}
   (  segid "SF1 " and resid 71   and name HD1%)
   (( segid "SF1 " and resid 69   and name HB2 ))
      4.000     2.000     2.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.30459E-03 ppm1      2.583 ppm2      0.441 CV     1
 ASSI { 2078}
   (( segid "SF1 " and resid 37   and name HN  ))
   (( segid "SF1 " and resid 36   and name HA1 ))
      3.000     1.100     1.100 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.17454E-02 ppm1      4.208 ppm2      7.321 CV     1
 ASSI { 2081}
   (( segid "SF1 " and resid 98   and name HN  ))
   (  segid "SF1 " and resid 97   and name HG2%)
      3.600     1.600     1.600 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.81566E-03 ppm1      0.639 ppm2      0.086 CV     1
 ASSI { 2086}
   (  segid "SF1 " and resid 34   and name HG1%)
   (( segid "SF1 " and resid 25   and name HG2 ))
      2.900     1.000     1.000 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      2.190 ppm2      0.676 CV     1
 ASSI { 2087}
   (  segid "SF1 " and resid 71   and name HD1%)
   (( segid "SF1 " and resid 71   and name HB  ))
      3.300     1.300     1.300 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.31999E-02 ppm1      2.007 ppm2      0.446 CV     1
 ASSI { 2088}
   (( segid "SF1 " and resid 93   and name HB2 ))
   (( segid "SF1 " and resid 95   and name HG2 ))
      3.900     1.900     1.900 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.86131E-03 ppm1      2.371 ppm2      1.467 CV     1
 OR { 2088}
   (( segid "SF1 " and resid 93   and name HG2 ))
   (( segid "SF1 " and resid 95   and name HG2 ))
 ASSI { 2089}
   (( segid "SF1 " and resid 93   and name HB2 ))
   (( segid "SF1 " and resid 95   and name HG1 ))
      3.900     1.900     1.900 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.89554E-03 ppm1      2.444 ppm2      1.480 CV     1
 OR { 2089}
   (( segid "SF1 " and resid 93   and name HG2 ))
   (( segid "SF1 " and resid 95   and name HG1 ))
 ASSI { 2090}
   (( segid "SF1 " and resid 113  and name HB1 ))
   (( segid "SF1 " and resid 113  and name HB2 ))
      2.000     0.500     0.500 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.55840E-02 ppm1      2.393 ppm2      2.732 CV     1
 ASSI { 2091}
   (( segid "SF1 " and resid 95   and name HN  ))
   (( segid "SF1 " and resid 95   and name HG1 ))
      3.600     1.700     1.700 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.16371E-02 ppm1      2.436 ppm2     -0.273 CV     1
 ASSI { 2093}
   (( segid "SF1 " and resid 24   and name HN  ))
   (( segid "SF1 " and resid 25   and name HG1 ))
      3.900     1.900     1.900 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.61035E-03 ppm1      2.195 ppm2      8.200 CV     1
 OR { 2093}
   (( segid "SF1 " and resid 24   and name HN  ))
   (( segid "SF1 " and resid 25   and name HG2 ))
 ASSI { 2094}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 86   and name HB2 ))
      3.200     1.300     1.300 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.30630E-02 ppm1      1.854 ppm2      0.849 CV     1
 ASSI { 2096}
   (( segid "SF1 " and resid 42   and name HB2 ))
   (( segid "SF1 " and resid 34   and name HB  ))
      4.100     2.100     1.900 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.87269E-03 ppm1      1.805 ppm2      0.885 CV     1
 ASSI { 2098}
   (( segid "SF1 " and resid 86   and name HN  ))
   (( segid "SF1 " and resid 86   and name HB2 ))
      2.500     0.800     0.800 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.45461E-02 ppm1      1.859 ppm2      7.969 CV     1
 ASSI { 2100}
   (( segid "SF1 " and resid 85   and name HN  ))
   (( segid "SF1 " and resid 84   and name HB1 ))
      3.300     1.400     1.400 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.38274E-03 ppm1      3.666 ppm2      8.351 CV     1
 ASSI { 2101}
   (  segid "SF1 " and resid 112  and name HE% )
   (( segid "SF1 " and resid 40   and name HA2 ))
      3.300     1.300     1.300 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.10724E-02 ppm1      3.246 ppm2      1.839 CV     1
 ASSI { 2102}
   (( segid "SF1 " and resid 112  and name HA  ))
   (( segid "SF1 " and resid 112  and name HG1 ))
      3.700     1.700     1.700 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.10895E-02 ppm1      2.062 ppm2      3.999 CV     1
 ASSI { 2104}
   (( segid "SF1 " and resid 61   and name HN  ))
   (( segid "SF1 " and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.14945E-02 ppm1      2.721 ppm2      8.450 CV     1
 ASSI { 2108}
   (( segid "SF1 " and resid 108  and name HN  ))
   (( segid "SF1 " and resid 108  and name HD1 ))
      4.300     2.300     1.700 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.38958E-03 ppm1      1.475 ppm2      8.173 CV     1
 ASSI { 2110}
   (( segid "SF1 " and resid 123  and name HN  ))
   (( segid "SF1 " and resid 122  and name HB2 ))
      3.600     1.600     1.600 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.95826E-03 ppm1      2.026 ppm2      8.014 CV     1
 ASSI { 2113}
   (( segid "SF1 " and resid 56   and name HE22))
   (( segid "SF1 " and resid 101  and name HD1 ))
      2.900     2.900     3.100 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.18823E-02 ppm1      3.282 ppm2      6.937 CV     1
 ASSI { 2114}
   (( segid "SF1 " and resid 36   and name HN  ))
   (( segid "SF1 " and resid 36   and name HA2 ))
      2.800     1.000     1.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.19565E-02 ppm1      3.315 ppm2      7.257 CV     1
 ASSI { 2118}
   (  segid "SF1 " and resid 96   and name HB% )
   (( segid "SF1 " and resid 96   and name HA  ))
      2.600     0.800     0.800 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.43008E-02 ppm1      4.558 ppm2      1.795 CV     1
 ASSI { 2120}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 41   and name HA  ))
      3.500     1.500     1.500 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.70729E-03 ppm1      4.818 ppm2      6.697 CV     1
 OR { 2120}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 41   and name HA  ))
 ASSI { 2122}
   (( segid "SF1 " and resid 66   and name HN  ))
   (( segid "SF1 " and resid 65   and name HA  ))
      3.700     1.800     1.800 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.62172E-03 ppm1      4.581 ppm2      8.898 CV     1
 ASSI { 2126}
   (( segid "SF1 " and resid 104  and name HN  ))
   (( segid "SF1 " and resid 103  and name HA  ))
      2.800     1.000     1.000 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.21219E-02 ppm1      4.451 ppm2      8.803 CV     1
 ASSI { 2127}
   (( segid "SF1 " and resid 42   and name HG  ))
   (( segid "SF1 " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.87843E-03 ppm1      4.419 ppm2      1.121 CV     1
 ASSI { 2128}
   (( segid "SF1 " and resid 65   and name HB1 ))
   (( segid "SF1 " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.23957E-02 ppm1      4.583 ppm2      2.152 CV     1
 OR { 2128}
   (( segid "SF1 " and resid 65   and name HG2 ))
   (( segid "SF1 " and resid 65   and name HA  ))
 ASSI { 2129}
   (( segid "SF1 " and resid 65   and name HB2 ))
   (( segid "SF1 " and resid 65   and name HA  ))
      4.000     2.000     2.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.59324E-03 ppm1      4.582 ppm2      1.821 CV     1
 ASSI { 2130}
   (( segid "SF1 " and resid 65   and name HG1 ))
   (( segid "SF1 " and resid 65   and name HA  ))
      4.400     2.500     1.600 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.32342E-03 ppm1      4.583 ppm2      2.308 CV     1
 ASSI { 2131}
   (( segid "SF1 " and resid 37   and name HA  ))
   (( segid "SF1 " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.10552E-02 ppm1      4.417 ppm2      3.864 CV     1
 ASSI { 2132}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 37   and name HB1 ))
      3.400     1.400     1.400 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.96399E-03 ppm1      2.094 ppm2      6.700 CV     1
 ASSI { 2135}
   (  segid "SF1 " and resid 37   and name HD% )
   (  segid "SF1 " and resid 42   and name HD2%)
      4.300     2.300     1.700 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.23900E-03 ppm1     -0.261 ppm2      6.700 CV     1
 OR { 2135}
   (  segid "SF1 " and resid 37   and name HE% )
   (  segid "SF1 " and resid 42   and name HD2%)
 ASSI { 2141}
   (( segid "SF1 " and resid 115  and name HB2 ))
   (( segid "SF1 " and resid 116  and name HB2 ))
      3.600     1.600     1.600 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.79286E-03 ppm1      2.731 ppm2      1.864 CV     1
 OR { 2141}
   (( segid "SF1 " and resid 115  and name HB1 ))
   (( segid "SF1 " and resid 116  and name HB2 ))
 ASSI { 2145}
   (( segid "SF1 " and resid 111  and name HD2 ))
   (( segid "SF1 " and resid 109  and name HA  ))
      3.900     1.900     1.900 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.32570E-03 ppm1      4.377 ppm2      3.524 CV     1
 ASSI { 2146}
   (( segid "SF1 " and resid 111  and name HD1 ))
   (( segid "SF1 " and resid 109  and name HA  ))
      5.100     3.300     0.900 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.28463E-03 ppm1      4.377 ppm2      3.591 CV     1
 ASSI { 2147}
   (( segid "SF1 " and resid 47   and name HB2 ))
   (  segid "SF1 " and resid 92   and name HE% )
      3.100     1.200     1.200 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.28235E-02 ppm1      1.736 ppm2      2.946 CV     1
 ASSI { 2148}
   (( segid "SF1 " and resid 38   and name HB2 ))
   (  segid "SF1 " and resid 92   and name HE% )
      3.800     1.800     1.800 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.62746E-03 ppm1      1.737 ppm2      2.517 CV     1
 ASSI { 2149}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 42   and name HA  ))
      4.100     2.100     1.900 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.38673E-03 ppm1      4.423 ppm2      6.709 CV     1
 OR { 2149}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 42   and name HA  ))
 ASSI { 2150}
   (( segid "SF1 " and resid 83   and name HE  ))
   (  segid "SF1 " and resid 29   and name HG1%)
      4.100     2.100     1.900 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.28007E-03 ppm1      0.996 ppm2      8.288 CV     1
 ASSI { 2151}
   (  segid "SF1 " and resid 71   and name HG2%)
   (  segid "SF1 " and resid 29   and name HG1%)
      3.400     1.400     1.400 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.88411E-03 ppm1      0.991 ppm2      0.512 CV     1
 ASSI { 2152}
   (( segid "SF1 " and resid 86   and name HN  ))
   (  segid "SF1 " and resid 29   and name HG1%)
      5.500     3.800     0.500 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.10895E-03 ppm1      0.995 ppm2      7.968 CV     1
 ASSI { 2153}
   (( segid "SF1 " and resid 119  and name HA  ))
   (( segid "SF1 " and resid 119  and name HG  ))
      3.500     1.600     1.600 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.83277E-03 ppm1      1.753 ppm2      4.103 CV     1
 ASSI { 2157}
   (( segid "SF1 " and resid 103  and name HG2 ))
   (( segid "SF1 " and resid 103  and name HG1 ))
      1.500     0.300     0.700 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.24926E-01 ppm1      1.858 ppm2      1.590 CV     1
 ASSI { 2158}
   (( segid "SF1 " and resid 31   and name HA2 ))
   (( segid "SF1 " and resid 31   and name HA1 ))
      2.600     0.900     0.900 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.15572E-02 ppm1      4.231 ppm2      3.744 CV     1
 ASSI { 2160}
   (( segid "SF1 " and resid 93   and name HB1 ))
   (( segid "SF1 " and resid 95   and name HG1 ))
      3.400     1.400     1.400 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.91265E-03 ppm1      2.437 ppm2      1.690 CV     1
 ASSI { 2162}
   (( segid "SF1 " and resid 92   and name HG2 ))
   (( segid "SF1 " and resid 92   and name HB2 ))
      4.500     2.500     1.500 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.21789E-03 ppm1      0.626 ppm2      1.863 CV     1
 ASSI { 2163}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (( segid "SF1 " and resid 92   and name HB1 ))
      4.200     2.200     1.800 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.28520E-03 ppm1      0.880 ppm2      2.334 CV     1
 ASSI { 2166}
   (( segid "SF1 " and resid 82   and name HN  ))
   (( segid "SF1 " and resid 81   and name HB2 ))
      4.900     3.000     1.100 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.31600E-03 ppm1      2.862 ppm2     -0.175 CV     1
 ASSI { 2167}
   (( segid "SF1 " and resid 82   and name HN  ))
   (  segid "SF1 " and resid 71   and name HD1%)
      4.300     2.300     1.700 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.73583E-03 ppm1      0.439 ppm2     -0.179 CV     1
 ASSI { 2168}
   (( segid "SF1 " and resid 83   and name HG2 ))
   (( segid "SF1 " and resid 83   and name HG1 ))
      1.900     0.500     0.500 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.62746E-02 ppm1      1.175 ppm2      0.893 CV     1
 ASSI { 2172}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 114  and name HD1 ))
      3.800     1.800     1.800 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.92977E-03 ppm1      1.625 ppm2      7.777 CV     1
 OR { 2172}
   (( segid "SF1 " and resid 114  and name HN  ))
   (( segid "SF1 " and resid 114  and name HD2 ))
 ASSI {    1}
   (( segid "SF1 " and resid 26   and name HA  ))
   (( segid "SF1 " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.37531E-02 ppm1      9.644 ppm2      4.705 CV     1
 ASSI {    3}
   (( segid "SF1 " and resid 27   and name HB1 ))
   (( segid "SF1 " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak     3 spectrum    1 weight  0.10000E+01 volume  0.16589E-02 ppm1      9.647 ppm2      3.275 CV     1
 ASSI {   11}
   (( segid "SF1 " and resid 27   and name HB2 ))
   (( segid "SF1 " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.16374E-02 ppm1      9.643 ppm2      2.794 CV     1
 ASSI {   14}
   (( segid "SF1 " and resid 26   and name HB2 ))
   (( segid "SF1 " and resid 27   and name HN  ))
      3.600     1.600     1.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.15986E-02 ppm1      9.648 ppm2      1.169 CV     1
 ASSI {   16}
   (( segid "SF1 " and resid 26   and name HB1 ))
   (( segid "SF1 " and resid 27   and name HN  ))
      3.000     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.12151E-02 ppm1      9.649 ppm2      1.608 CV     1
 ASSI {   20}
   (( segid "SF1 " and resid 71   and name HA  ))
   (( segid "SF1 " and resid 71   and name HN  ))
      2.900     1.100     1.100 peak    20 spectrum    1 weight  0.10000E+01 volume  0.16546E-02 ppm1      8.419 ppm2      3.872 CV     1
 ASSI {   22}
   (( segid "SF1 " and resid 70   and name HB2 ))
   (( segid "SF1 " and resid 71   and name HN  ))
      2.900     1.100     1.100 peak    22 spectrum    1 weight  0.10000E+01 volume  0.46105E-02 ppm1      8.417 ppm2      1.633 CV     1
 OR {   22}
   (( segid "SF1 " and resid 70   and name HB1 ))
   (( segid "SF1 " and resid 71   and name HN  ))
 ASSI {   23}
   (( segid "SF1 " and resid 70   and name HG1 ))
   (( segid "SF1 " and resid 71   and name HN  ))
      4.400     2.400     1.600 peak    23 spectrum    1 weight  0.10000E+01 volume  0.82729E-03 ppm1      8.415 ppm2      1.363 CV     1
 ASSI {   24}
   (( segid "SF1 " and resid 70   and name HG2 ))
   (( segid "SF1 " and resid 71   and name HN  ))
      4.200     2.200     1.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.70668E-03 ppm1      8.420 ppm2      1.194 CV     1
 ASSI {   25}
   (( segid "SF1 " and resid 71   and name HG12))
   (( segid "SF1 " and resid 71   and name HN  ))
      2.900     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.10212E-02 ppm1      8.416 ppm2      0.885 CV     1
 ASSI {   30}
   (( segid "SF1 " and resid 81   and name HB1 ))
   (( segid "SF1 " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.26715E-02 ppm1      9.836 ppm2      3.043 CV     1
 ASSI {   34}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 72   and name HN  ))
      3.800     1.800     1.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.23527E-02 ppm1      6.692 ppm2      2.381 CV     1
 OR {   34}
   (( segid "SF1 " and resid 75   and name HG1 ))
   (( segid "SF1 " and resid 72   and name HN  ))
 ASSI {   45}
   (( segid "SF1 " and resid 109  and name HN  ))
   (( segid "SF1 " and resid 110  and name HN  ))
      2.500     0.800     0.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.35506E-02 ppm1      7.863 ppm2      8.201 CV     1
 ASSI {   49}
   (( segid "SF1 " and resid 109  and name HB1 ))
   (( segid "SF1 " and resid 110  and name HN  ))
      4.000     2.000     2.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.78423E-03 ppm1      7.866 ppm2      2.942 CV     1
 ASSI {   52}
   (( segid "SF1 " and resid 111  and name HG2 ))
   (( segid "SF1 " and resid 110  and name HN  ))
      4.800     2.800     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.65067E-03 ppm1      7.863 ppm2      1.881 CV     1
 ASSI {   53}
   (( segid "SF1 " and resid 75   and name HB2 ))
   (( segid "SF1 " and resid 72   and name HN  ))
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.29042E-02 ppm1      6.689 ppm2      1.828 CV     1
 ASSI {   54}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.86177E-03 ppm1      6.686 ppm2      8.654 CV     1
 ASSI {   55}
   (( segid "SF1 " and resid 110  and name HA1 ))
   (( segid "SF1 " and resid 110  and name HN  ))
      2.300     0.600     0.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.59892E-02 ppm1      7.864 ppm2      4.136 CV     1
 ASSI {   56}
   (( segid "SF1 " and resid 110  and name HA2 ))
   (( segid "SF1 " and resid 110  and name HN  ))
      2.900     1.100     1.100 peak    56 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      7.862 ppm2      3.948 CV     1
 ASSI {   57}
   (( segid "SF1 " and resid 111  and name HD1 ))
   (( segid "SF1 " and resid 110  and name HN  ))
      3.000     1.100     1.100 peak    57 spectrum    1 weight  0.10000E+01 volume  0.22234E-02 ppm1      7.862 ppm2      3.649 CV     1
 ASSI {   58}
   (( segid "SF1 " and resid 111  and name HD2 ))
   (( segid "SF1 " and resid 110  and name HN  ))
      2.800     1.000     1.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.13831E-02 ppm1      7.860 ppm2      3.541 CV     1
 ASSI {   59}
   (( segid "SF1 " and resid 109  and name HA  ))
   (( segid "SF1 " and resid 110  and name HN  ))
      3.200     1.300     1.300 peak    59 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      7.865 ppm2      4.393 CV     1
 ASSI {   70}
   (( segid "SF1 " and resid 44   and name HB2 ))
   (( segid "SF1 " and resid 45   and name HN  ))
      3.600     1.600     1.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.35376E-03 ppm1      9.202 ppm2      2.571 CV     1
 ASSI {   71}
   (( segid "SF1 " and resid 45   and name HB2 ))
   (( segid "SF1 " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.13703E-02 ppm1      9.188 ppm2      2.095 CV     1
 OR {   71}
   (( segid "SF1 " and resid 45   and name HB1 ))
   (( segid "SF1 " and resid 45   and name HN  ))
 ASSI {   72}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 61   and name HN  ))
      3.600     1.600     1.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.68942E-03 ppm1      8.454 ppm2      7.747 CV     1
 ASSI {   73}
   (  segid "SF1 " and resid 61   and name HD% )
   (( segid "SF1 " and resid 61   and name HN  ))
      3.300     1.300     1.300 peak    73 spectrum    1 weight  0.10000E+01 volume  0.12798E-02 ppm1      8.448 ppm2      7.107 CV     1
 ASSI {   98}
   (( segid "SF1 " and resid 83   and name HN  ))
   (( segid "SF1 " and resid 82   and name HN  ))
      3.100     1.200     1.200 peak    98 spectrum    1 weight  0.10000E+01 volume  0.12194E-02 ppm1      9.837 ppm2      8.694 CV     1
 ASSI {  100}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 82   and name HN  ))
      3.500     1.500     1.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.10384E-02 ppm1      9.837 ppm2      7.750 CV     1
 ASSI {  102}
   (( segid "SF1 " and resid 80   and name HG1 ))
   (( segid "SF1 " and resid 82   and name HN  ))
      4.400     2.500     1.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.59466E-03 ppm1      9.839 ppm2      1.916 CV     1
 OR {  102}
   (( segid "SF1 " and resid 80   and name HG2 ))
   (( segid "SF1 " and resid 82   and name HN  ))
 ASSI {  106}
   (( segid "SF1 " and resid 72   and name HB2 ))
   (( segid "SF1 " and resid 72   and name HN  ))
      3.200     1.200     1.200 peak   106 spectrum    1 weight  0.10000E+01 volume  0.91778E-03 ppm1      6.692 ppm2      2.554 CV     1
 ASSI {  108}
   (( segid "SF1 " and resid 70   and name HB2 ))
   (( segid "SF1 " and resid 72   and name HN  ))
      3.500     1.600     1.600 peak   108 spectrum    1 weight  0.10000E+01 volume  0.97811E-03 ppm1      6.689 ppm2      1.634 CV     1
 OR {  108}
   (( segid "SF1 " and resid 70   and name HB1 ))
   (( segid "SF1 " and resid 72   and name HN  ))
 ASSI {  109}
   (( segid "SF1 " and resid 50   and name HN  ))
   (( segid "SF1 " and resid 51   and name HN  ))
      3.400     1.500     1.500 peak   109 spectrum    1 weight  0.10000E+01 volume  0.67220E-03 ppm1      9.086 ppm2      8.562 CV     1
 ASSI {  110}
   (( segid "SF1 " and resid 52   and name HN  ))
   (( segid "SF1 " and resid 51   and name HN  ))
      3.000     1.100     1.100 peak   110 spectrum    1 weight  0.10000E+01 volume  0.14349E-02 ppm1      9.100 ppm2      7.944 CV     1
 ASSI {  116}
   (( segid "SF1 " and resid 68   and name HA  ))
   (( segid "SF1 " and resid 69   and name HN  ))
      2.600     0.900     0.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.41667E-02 ppm1      9.491 ppm2      4.775 CV     1
 ASSI {  117}
   (( segid "SF1 " and resid 69   and name HA  ))
   (( segid "SF1 " and resid 69   and name HN  ))
      2.900     1.000     1.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.27146E-02 ppm1      9.487 ppm2      3.860 CV     1
 ASSI {  118}
   (( segid "SF1 " and resid 69   and name HB1 ))
   (( segid "SF1 " and resid 69   and name HN  ))
      3.300     1.400     1.400 peak   118 spectrum    1 weight  0.10000E+01 volume  0.37488E-02 ppm1      9.488 ppm2      2.827 CV     1
 ASSI {  119}
   (( segid "SF1 " and resid 69   and name HB2 ))
   (( segid "SF1 " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.28956E-02 ppm1      9.488 ppm2      2.575 CV     1
 ASSI {  121}
   (( segid "SF1 " and resid 15   and name HN  ))
   (( segid "SF1 " and resid 14   and name HN  ))
      3.300     1.300     1.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.18528E-02 ppm1      8.463 ppm2      7.907 CV     1
 ASSI {  123}
   (( segid "SF1 " and resid 13   and name HA  ))
   (( segid "SF1 " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.43089E-02 ppm1      8.464 ppm2      4.302 CV     1
 ASSI {  124}
   (( segid "SF1 " and resid 14   and name HA2 ))
   (( segid "SF1 " and resid 14   and name HN  ))
      2.300     0.700     0.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.10729E-01 ppm1      8.465 ppm2      3.984 CV     1
 OR {  124}
   (( segid "SF1 " and resid 14   and name HA1 ))
   (( segid "SF1 " and resid 14   and name HN  ))
 ASSI {  125}
   (( segid "SF1 " and resid 13   and name HB1 ))
   (( segid "SF1 " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak   125 spectrum    1 weight  0.10000E+01 volume  0.20209E-02 ppm1      8.464 ppm2      1.614 CV     1
 OR {  125}
   (( segid "SF1 " and resid 13   and name HB2 ))
   (( segid "SF1 " and resid 14   and name HN  ))
 OR {  125}
   (( segid "SF1 " and resid 13   and name HG  ))
   (( segid "SF1 " and resid 14   and name HN  ))
 ASSI {  127}
   (( segid "SF1 " and resid 35   and name HN  ))
   (( segid "SF1 " and resid 36   and name HN  ))
      2.400     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.33136E-02 ppm1      7.244 ppm2      8.992 CV     1
 ASSI {  129}
   (( segid "SF1 " and resid 36   and name HA1 ))
   (( segid "SF1 " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak   129 spectrum    1 weight  0.10000E+01 volume  0.19433E-02 ppm1      7.243 ppm2      4.227 CV     1
 ASSI {  130}
   (( segid "SF1 " and resid 34   and name HA  ))
   (( segid "SF1 " and resid 36   and name HN  ))
      4.600     2.600     1.400 peak   130 spectrum    1 weight  0.10000E+01 volume  0.74543E-03 ppm1      7.248 ppm2      3.672 CV     1
 ASSI {  132}
   (( segid "SF1 " and resid 34   and name HB  ))
   (( segid "SF1 " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak   132 spectrum    1 weight  0.10000E+01 volume  0.15340E-02 ppm1      7.243 ppm2      1.861 CV     1
 ASSI {  134}
   (  segid "SF1 " and resid 42   and name HD2%)
   (( segid "SF1 " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.76269E-03 ppm1      7.239 ppm2     -0.263 CV     1
 ASSI {  135}
   (( segid "SF1 " and resid 93   and name HA  ))
   (( segid "SF1 " and resid 94   and name HN  ))
      2.300     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.55154E-02 ppm1      8.845 ppm2      4.545 CV     1
 ASSI {  138}
   (( segid "SF1 " and resid 94   and name HB1 ))
   (( segid "SF1 " and resid 94   and name HN  ))
      2.600     0.800     0.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.70668E-02 ppm1      8.842 ppm2      1.848 CV     1
 OR {  138}
   (( segid "SF1 " and resid 94   and name HG  ))
   (( segid "SF1 " and resid 94   and name HN  ))
 ASSI {  139}
   (( segid "SF1 " and resid 94   and name HB2 ))
   (( segid "SF1 " and resid 94   and name HN  ))
      2.600     0.900     0.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.21890E-02 ppm1      8.846 ppm2      1.555 CV     1
 ASSI {  140}
   (  segid "SF1 " and resid 94   and name HD1%)
   (( segid "SF1 " and resid 94   and name HN  ))
      3.400     1.400     1.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.24992E-02 ppm1      8.846 ppm2      0.997 CV     1
 ASSI {  142}
   (( segid "SF1 " and resid 51   and name HZ  ))
   (( segid "SF1 " and resid 94   and name HN  ))
      4.300     2.300     1.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.41193E-03 ppm1      8.855 ppm2      6.703 CV     1
 ASSI {  143}
   (( segid "SF1 " and resid 56   and name HN  ))
   (( segid "SF1 " and resid 57   and name HN  ))
      3.000     1.100     1.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.15943E-02 ppm1      6.791 ppm2      8.845 CV     1
 ASSI {  145}
   (( segid "SF1 " and resid 58   and name HN  ))
   (( segid "SF1 " and resid 57   and name HN  ))
      2.400     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.50414E-02 ppm1      6.790 ppm2      7.544 CV     1
 ASSI {  146}
   (( segid "SF1 " and resid 57   and name HA  ))
   (( segid "SF1 " and resid 57   and name HN  ))
      2.800     0.900     0.900 peak   146 spectrum    1 weight  0.10000E+01 volume  0.31843E-02 ppm1      6.786 ppm2      4.717 CV     1
 ASSI {  147}
   (( segid "SF1 " and resid 58   and name HA  ))
   (( segid "SF1 " and resid 57   and name HN  ))
      4.400     2.500     1.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.12884E-02 ppm1      6.787 ppm2      4.149 CV     1
 ASSI {  148}
   (( segid "SF1 " and resid 56   and name HA  ))
   (( segid "SF1 " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.10428E-02 ppm1      6.783 ppm2      3.843 CV     1
 ASSI {  149}
   (( segid "SF1 " and resid 57   and name HB1 ))
   (( segid "SF1 " and resid 57   and name HN  ))
      3.400     1.500     1.500 peak   149 spectrum    1 weight  0.10000E+01 volume  0.30249E-02 ppm1      6.781 ppm2      2.825 CV     1
 ASSI {  150}
   (( segid "SF1 " and resid 57   and name HB2 ))
   (( segid "SF1 " and resid 57   and name HN  ))
      2.300     0.700     0.700 peak   150 spectrum    1 weight  0.10000E+01 volume  0.39211E-02 ppm1      6.781 ppm2      2.400 CV     1
 ASSI {  151}
   (( segid "SF1 " and resid 56   and name HB1 ))
   (( segid "SF1 " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.18184E-02 ppm1      6.791 ppm2      2.047 CV     1
 ASSI {  152}
   (( segid "SF1 " and resid 56   and name HB2 ))
   (( segid "SF1 " and resid 57   and name HN  ))
      2.600     0.900     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.22880E-02 ppm1      6.791 ppm2      1.617 CV     1
 ASSI {  153}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 57   and name HN  ))
      4.600     2.600     1.400 peak   153 spectrum    1 weight  0.10000E+01 volume  0.47829E-03 ppm1      6.795 ppm2      1.312 CV     1
 ASSI {  154}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (( segid "SF1 " and resid 57   and name HN  ))
      4.300     2.300     1.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.68942E-03 ppm1      6.793 ppm2      1.096 CV     1
 ASSI {  155}
   (( segid "SF1 " and resid 82   and name HB1 ))
   (( segid "SF1 " and resid 69   and name HN  ))
      3.300     1.300     1.300 peak   155 spectrum    1 weight  0.10000E+01 volume  0.99969E-03 ppm1      9.481 ppm2      3.013 CV     1
 ASSI {  157}
   (( segid "SF1 " and resid 95   and name HN  ))
   (( segid "SF1 " and resid 94   and name HN  ))
      2.700     0.900     0.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.19433E-02 ppm1      8.843 ppm2      9.753 CV     1
 ASSI {  158}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 74   and name HN  ))
      2.300     0.600     0.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.58171E-02 ppm1      7.899 ppm2      8.644 CV     1
 ASSI {  159}
   (( segid "SF1 " and resid 73   and name HN  ))
   (( segid "SF1 " and resid 74   and name HN  ))
      2.800     1.000     1.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.21415E-02 ppm1      7.899 ppm2      8.229 CV     1
 ASSI {  161}
   (( segid "SF1 " and resid 75   and name HA  ))
   (( segid "SF1 " and resid 74   and name HN  ))
      4.900     3.100     1.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.38953E-03 ppm1      7.900 ppm2      4.464 CV     1
 ASSI {  162}
   (( segid "SF1 " and resid 74   and name HA  ))
   (( segid "SF1 " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.65925E-02 ppm1      7.900 ppm2      4.227 CV     1
 OR {  162}
   (( segid "SF1 " and resid 74   and name HB  ))
   (( segid "SF1 " and resid 74   and name HN  ))
 ASSI {  164}
   (( segid "SF1 " and resid 72   and name HB1 ))
   (( segid "SF1 " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.57739E-03 ppm1      7.905 ppm2      3.153 CV     1
 ASSI {  166}
   (( segid "SF1 " and resid 72   and name HB2 ))
   (( segid "SF1 " and resid 74   and name HN  ))
      4.000     2.000     2.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.57307E-03 ppm1      7.901 ppm2      2.565 CV     1
 ASSI {  167}
   (( segid "SF1 " and resid 75   and name HG1 ))
   (( segid "SF1 " and resid 74   and name HN  ))
      4.100     2.200     1.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.11203E-02 ppm1      7.897 ppm2      2.373 CV     1
 OR {  167}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 74   and name HN  ))
 OR {  167}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 74   and name HN  ))
 ASSI {  171}
   (  segid "SF1 " and resid 74   and name HG2%)
   (( segid "SF1 " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.30938E-02 ppm1      7.899 ppm2      1.202 CV     1
 ASSI {  172}
   (( segid "SF1 " and resid 66   and name HN  ))
   (( segid "SF1 " and resid 65   and name HN  ))
      3.800     1.800     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.84887E-03 ppm1      9.282 ppm2      8.916 CV     1
 ASSI {  173}
   (( segid "SF1 " and resid 65   and name HA  ))
   (( segid "SF1 " and resid 65   and name HN  ))
      2.600     0.900     0.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.47829E-02 ppm1      9.275 ppm2      4.615 CV     1
 ASSI {  174}
   (( segid "SF1 " and resid 64   and name HA  ))
   (( segid "SF1 " and resid 65   and name HN  ))
      3.300     1.300     1.300 peak   174 spectrum    1 weight  0.10000E+01 volume  0.13788E-02 ppm1      9.271 ppm2      4.316 CV     1
 ASSI {  176}
   (( segid "SF1 " and resid 65   and name HG2 ))
   (( segid "SF1 " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.43951E-02 ppm1      9.278 ppm2      2.180 CV     1
 ASSI {  178}
   (  segid "SF1 " and resid 64   and name HG2%)
   (( segid "SF1 " and resid 65   and name HN  ))
      4.300     2.400     1.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.37229E-03 ppm1      9.278 ppm2      1.262 CV     1
 ASSI {  179}
   (( segid "SF1 " and resid 38   and name HD2 ))
   (( segid "SF1 " and resid 43   and name HN  ))
      3.400     1.400     1.400 peak   179 spectrum    1 weight  0.10000E+01 volume  0.10083E-02 ppm1      8.018 ppm2      7.452 CV     1
 ASSI {  180}
   (( segid "SF1 " and resid 42   and name HA  ))
   (( segid "SF1 " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.46967E-02 ppm1      8.021 ppm2      4.435 CV     1
 ASSI {  181}
   (( segid "SF1 " and resid 43   and name HA  ))
   (( segid "SF1 " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   181 spectrum    1 weight  0.10000E+01 volume  0.78854E-03 ppm1      8.012 ppm2      5.141 CV     1
 ASSI {  182}
   (( segid "SF1 " and resid 37   and name HA  ))
   (( segid "SF1 " and resid 43   and name HN  ))
      3.700     1.800     1.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.97380E-03 ppm1      8.022 ppm2      3.876 CV     1
 ASSI {  183}
   (( segid "SF1 " and resid 42   and name HB1 ))
   (( segid "SF1 " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.77559E-03 ppm1      8.024 ppm2      1.715 CV     1
 ASSI {  185}
   (( segid "SF1 " and resid 42   and name HB2 ))
   (( segid "SF1 " and resid 43   and name HN  ))
      4.300     2.300     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.76701E-03 ppm1      8.012 ppm2      0.899 CV     1
 ASSI {  186}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 43   and name HN  ))
      3.100     1.200     1.200 peak   186 spectrum    1 weight  0.10000E+01 volume  0.18658E-02 ppm1      8.019 ppm2      0.625 CV     1
 ASSI {  187}
   (  segid "SF1 " and resid 42   and name HD2%)
   (( segid "SF1 " and resid 43   and name HN  ))
      2.700     2.700     3.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.12970E-02 ppm1      8.024 ppm2     -0.263 CV     1
 ASSI {  188}
   (( segid "SF1 " and resid 11   and name HN  ))
   (( segid "SF1 " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak   188 spectrum    1 weight  0.10000E+01 volume  0.11720E-02 ppm1      8.400 ppm2      7.857 CV     1
 ASSI {  190}
   (( segid "SF1 " and resid 9    and name HA  ))
   (( segid "SF1 " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.40116E-02 ppm1      8.399 ppm2      4.484 CV     1
 ASSI {  191}
   (( segid "SF1 " and resid 10   and name HA1 ))
   (( segid "SF1 " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.77991E-02 ppm1      8.401 ppm2      3.949 CV     1
 OR {  191}
   (( segid "SF1 " and resid 10   and name HA2 ))
   (( segid "SF1 " and resid 10   and name HN  ))
 ASSI {  194}
   (( segid "SF1 " and resid 102  and name HN  ))
   (( segid "SF1 " and resid 101  and name HN  ))
      3.700     1.700     1.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.71095E-03 ppm1      7.599 ppm2      7.306 CV     1
 ASSI {  196}
   (( segid "SF1 " and resid 99   and name HA  ))
   (( segid "SF1 " and resid 101  and name HN  ))
      4.000     2.000     2.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.40805E-03 ppm1      7.607 ppm2      4.172 CV     1
 ASSI {  199}
   (( segid "SF1 " and resid 101  and name HB1 ))
   (( segid "SF1 " and resid 101  and name HN  ))
      3.900     1.900     1.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.84024E-03 ppm1      7.604 ppm2      1.980 CV     1
 OR {  199}
   (( segid "SF1 " and resid 101  and name HG2 ))
   (( segid "SF1 " and resid 101  and name HN  ))
 ASSI {  200}
   (( segid "SF1 " and resid 98   and name HB2 ))
   (( segid "SF1 " and resid 101  and name HN  ))
      3.800     1.800     1.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.68942E-03 ppm1      7.600 ppm2      1.806 CV     1
 ASSI {  201}
   (( segid "SF1 " and resid 101  and name HB2 ))
   (( segid "SF1 " and resid 101  and name HN  ))
      2.900     1.000     1.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.33179E-02 ppm1      7.604 ppm2      1.536 CV     1
 ASSI {  213}
   (( segid "SF1 " and resid 98   and name HB1 ))
   (( segid "SF1 " and resid 98   and name HN  ))
      3.400     1.500     1.500 peak   213 spectrum    1 weight  0.10000E+01 volume  0.13875E-02 ppm1     10.090 ppm2      2.168 CV     1
 OR {  213}
   (( segid "SF1 " and resid 98   and name HG1 ))
   (( segid "SF1 " and resid 98   and name HN  ))
 ASSI {  214}
   (( segid "SF1 " and resid 98   and name HB2 ))
   (( segid "SF1 " and resid 98   and name HN  ))
      3.200     1.300     1.300 peak   214 spectrum    1 weight  0.10000E+01 volume  0.10988E-02 ppm1     10.091 ppm2      1.798 CV     1
 ASSI {  220}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 63   and name HN  ))
      3.800     1.800     1.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.60756E-03 ppm1      8.433 ppm2      7.743 CV     1
 ASSI {  224}
   (( segid "SF1 " and resid 62   and name HB  ))
   (( segid "SF1 " and resid 63   and name HN  ))
      4.300     2.300     1.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.71526E-03 ppm1      8.434 ppm2      3.864 CV     1
 ASSI {  225}
   (( segid "SF1 " and resid 63   and name HB1 ))
   (( segid "SF1 " and resid 63   and name HN  ))
      3.000     1.100     1.100 peak   225 spectrum    1 weight  0.10000E+01 volume  0.23656E-02 ppm1      8.430 ppm2      2.705 CV     1
 ASSI {  226}
   (( segid "SF1 " and resid 63   and name HB2 ))
   (( segid "SF1 " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.31111E-02 ppm1      8.428 ppm2      2.409 CV     1
 ASSI {  231}
   (( segid "SF1 " and resid 89   and name HB  ))
   (( segid "SF1 " and resid 90   and name HN  ))
      2.600     0.800     0.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.29258E-02 ppm1      8.302 ppm2      4.329 CV     1
 ASSI {  232}
   (( segid "SF1 " and resid 90   and name HA  ))
   (( segid "SF1 " and resid 90   and name HN  ))
      2.600     0.800     0.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.40504E-02 ppm1      8.303 ppm2      4.246 CV     1
 ASSI {  233}
   (( segid "SF1 " and resid 89   and name HA  ))
   (( segid "SF1 " and resid 90   and name HN  ))
      3.400     1.500     1.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.11333E-02 ppm1      8.302 ppm2      3.884 CV     1
 ASSI {  234}
   (( segid "SF1 " and resid 91   and name HA2 ))
   (( segid "SF1 " and resid 90   and name HN  ))
      4.700     2.800     1.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.46105E-03 ppm1      8.301 ppm2      3.616 CV     1
 ASSI {  236}
   (( segid "SF1 " and resid 91   and name HA1 ))
   (( segid "SF1 " and resid 90   and name HN  ))
      5.200     3.400     0.800 peak   236 spectrum    1 weight  0.10000E+01 volume  0.35161E-03 ppm1      8.305 ppm2      4.468 CV     1
 ASSI {  238}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (( segid "SF1 " and resid 90   and name HN  ))
      4.400     2.400     1.600 peak   238 spectrum    1 weight  0.10000E+01 volume  0.89625E-03 ppm1      8.305 ppm2      1.873 CV     1
 OR {  238}
   (( segid "SF1 " and resid 28   and name HB2 ))
   (( segid "SF1 " and resid 90   and name HN  ))
 ASSI {  240}
   (  segid "SF1 " and resid 89   and name HG2%)
   (( segid "SF1 " and resid 90   and name HN  ))
      3.200     1.300     1.300 peak   240 spectrum    1 weight  0.10000E+01 volume  0.16460E-02 ppm1      8.303 ppm2      1.241 CV     1
 ASSI {  241}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 90   and name HN  ))
      2.100     0.500     0.500 peak   241 spectrum    1 weight  0.10000E+01 volume  0.11031E-01 ppm1      8.302 ppm2      0.931 CV     1
 OR {  241}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 90   and name HN  ))
 ASSI {  246}
   (( segid "SF1 " and resid 99   and name HN  ))
   (( segid "SF1 " and resid 100  and name HN  ))
      3.100     1.200     1.200 peak   246 spectrum    1 weight  0.10000E+01 volume  0.13530E-02 ppm1      7.955 ppm2      9.279 CV     1
 ASSI {  247}
   (( segid "SF1 " and resid 101  and name HN  ))
   (( segid "SF1 " and resid 100  and name HN  ))
      2.800     1.000     1.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.30076E-02 ppm1      7.958 ppm2      7.616 CV     1
 ASSI {  250}
   (( segid "SF1 " and resid 99   and name HA  ))
   (( segid "SF1 " and resid 100  and name HN  ))
      3.300     1.300     1.300 peak   250 spectrum    1 weight  0.10000E+01 volume  0.15598E-02 ppm1      7.955 ppm2      4.155 CV     1
 ASSI {  251}
   (( segid "SF1 " and resid 101  and name HA  ))
   (( segid "SF1 " and resid 100  and name HN  ))
      4.700     2.800     1.300 peak   251 spectrum    1 weight  0.10000E+01 volume  0.45675E-03 ppm1      7.954 ppm2      3.802 CV     1
 ASSI {  252}
   (( segid "SF1 " and resid 100  and name HB1 ))
   (( segid "SF1 " and resid 100  and name HN  ))
      3.800     1.800     1.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.13013E-02 ppm1      7.958 ppm2      2.984 CV     1
 ASSI {  253}
   (( segid "SF1 " and resid 100  and name HB2 ))
   (( segid "SF1 " and resid 100  and name HN  ))
      2.800     1.000     1.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.22794E-02 ppm1      7.960 ppm2      2.593 CV     1
 ASSI {  254}
   (( segid "SF1 " and resid 98   and name HB1 ))
   (( segid "SF1 " and resid 100  and name HN  ))
      3.000     1.200     1.200 peak   254 spectrum    1 weight  0.10000E+01 volume  0.19132E-02 ppm1      7.958 ppm2      2.175 CV     1
 OR {  254}
   (( segid "SF1 " and resid 98   and name HG1 ))
   (( segid "SF1 " and resid 100  and name HN  ))
 ASSI {  255}
   (  segid "SF1 " and resid 99   and name HB% )
   (( segid "SF1 " and resid 100  and name HN  ))
      2.900     1.100     1.100 peak   255 spectrum    1 weight  0.10000E+01 volume  0.35980E-02 ppm1      7.957 ppm2      1.496 CV     1
 ASSI {  258}
   (( segid "SF1 " and resid 15   and name HA  ))
   (( segid "SF1 " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.46967E-02 ppm1      7.905 ppm2      4.282 CV     1
 OR {  258}
   (( segid "SF1 " and resid 15   and name HB  ))
   (( segid "SF1 " and resid 15   and name HN  ))
 ASSI {  259}
   (( segid "SF1 " and resid 14   and name HA2 ))
   (( segid "SF1 " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.76269E-02 ppm1      7.905 ppm2      3.981 CV     1
 OR {  259}
   (( segid "SF1 " and resid 14   and name HA1 ))
   (( segid "SF1 " and resid 15   and name HN  ))
 ASSI {  261}
   (  segid "SF1 " and resid 15   and name HG2%)
   (( segid "SF1 " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.37875E-02 ppm1      7.905 ppm2      1.176 CV     1
 ASSI {  262}
   (( segid "SF1 " and resid 98   and name HG2 ))
   (( segid "SF1 " and resid 100  and name HN  ))
      4.000     2.000     2.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.76701E-03 ppm1      7.955 ppm2      1.836 CV     1
 ASSI {  263}
   (  segid "SF1 " and resid 26   and name HD1%)
   (( segid "SF1 " and resid 27   and name HN  ))
      4.800     2.900     1.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.57307E-03 ppm1      9.645 ppm2      0.890 CV     1
 ASSI {  264}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.88762E-03 ppm1      9.644 ppm2      0.620 CV     1
 ASSI {  267}
   (  segid "SF1 " and resid 71   and name HD1%)
   (( segid "SF1 " and resid 71   and name HN  ))
      3.900     1.900     1.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.10212E-02 ppm1      8.417 ppm2      0.470 CV     1
 ASSI {  269}
   (( segid "SF1 " and resid 74   and name HA  ))
   (( segid "SF1 " and resid 72   and name HN  ))
      5.400     3.600     0.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.18658E-03 ppm1      6.686 ppm2      4.211 CV     1
 OR {  269}
   (( segid "SF1 " and resid 74   and name HB  ))
   (( segid "SF1 " and resid 72   and name HN  ))
 ASSI {  270}
   (( segid "SF1 " and resid 75   and name HA  ))
   (( segid "SF1 " and resid 72   and name HN  ))
      5.000     3.100     1.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.35936E-03 ppm1      6.684 ppm2      4.455 CV     1
 ASSI {  272}
   (( segid "SF1 " and resid 73   and name HN  ))
   (( segid "SF1 " and resid 72   and name HN  ))
      4.600     2.600     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.39944E-03 ppm1      6.688 ppm2      8.224 CV     1
 ASSI {  273}
   (( segid "SF1 " and resid 71   and name HN  ))
   (( segid "SF1 " and resid 72   and name HN  ))
      4.800     2.800     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.31283E-03 ppm1      6.684 ppm2      8.421 CV     1
 ASSI {  274}
   (( segid "SF1 " and resid 71   and name HB  ))
   (( segid "SF1 " and resid 72   and name HN  ))
      5.000     3.100     1.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.25293E-03 ppm1      6.686 ppm2      2.014 CV     1
 ASSI {  276}
   (( segid "SF1 " and resid 72   and name HB1 ))
   (( segid "SF1 " and resid 72   and name HN  ))
      4.800     2.900     1.200 peak   276 spectrum    1 weight  0.10000E+01 volume  0.25983E-03 ppm1      6.686 ppm2      3.136 CV     1
 ASSI {  277}
   (( segid "SF1 " and resid 81   and name HA  ))
   (( segid "SF1 " and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.53001E-03 ppm1      8.450 ppm2      4.174 CV     1
 ASSI {  279}
   (( segid "SF1 " and resid 55   and name HA  ))
   (( segid "SF1 " and resid 57   and name HN  ))
      4.500     2.500     1.500 peak   279 spectrum    1 weight  0.10000E+01 volume  0.29904E-03 ppm1      6.784 ppm2      3.388 CV     1
 ASSI {  280}
   (( segid "SF1 " and resid 56   and name HG1 ))
   (( segid "SF1 " and resid 57   and name HN  ))
      5.200     3.400     0.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.34601E-03 ppm1      6.789 ppm2      2.621 CV     1
 ASSI {  281}
   (( segid "SF1 " and resid 53   and name HA  ))
   (( segid "SF1 " and resid 57   and name HN  ))
      3.900     1.900     1.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.48260E-03 ppm1      6.789 ppm2      4.005 CV     1
 ASSI {  282}
   (( segid "SF1 " and resid 56   and name HG2 ))
   (( segid "SF1 " and resid 57   and name HN  ))
      4.300     2.300     1.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.94363E-03 ppm1      6.783 ppm2      2.155 CV     1
 ASSI {  283}
   (  segid "SF1 " and resid 55   and name HG1%)
   (( segid "SF1 " and resid 57   and name HN  ))
      4.800     2.900     1.200 peak   283 spectrum    1 weight  0.10000E+01 volume  0.27405E-03 ppm1      6.783 ppm2      0.791 CV     1
 ASSI {  284}
   (( segid "SF1 " and resid 58   and name HB1 ))
   (( segid "SF1 " and resid 57   and name HN  ))
      4.000     2.000     2.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.94795E-03 ppm1      6.785 ppm2      2.947 CV     1
 ASSI {  286}
   (( segid "SF1 " and resid 70   and name HN  ))
   (( segid "SF1 " and resid 69   and name HN  ))
      4.800     2.900     1.200 peak   286 spectrum    1 weight  0.10000E+01 volume  0.52138E-03 ppm1      9.487 ppm2      8.339 CV     1
 ASSI {  290}
   (( segid "SF1 " and resid 44   and name HA  ))
   (( segid "SF1 " and resid 36   and name HN  ))
      4.900     3.000     1.100 peak   290 spectrum    1 weight  0.10000E+01 volume  0.35850E-03 ppm1      7.242 ppm2      5.263 CV     1
 ASSI {  291}
   (( segid "SF1 " and resid 35   and name HA  ))
   (( segid "SF1 " and resid 36   and name HN  ))
      4.100     2.100     1.900 peak   291 spectrum    1 weight  0.10000E+01 volume  0.39556E-03 ppm1      7.239 ppm2      5.014 CV     1
 ASSI {  293}
   (( segid "SF1 " and resid 35   and name HB1 ))
   (( segid "SF1 " and resid 36   and name HN  ))
      3.900     1.900     1.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.86177E-03 ppm1      7.243 ppm2      4.417 CV     1
 ASSI {  298}
   (( segid "SF1 " and resid 34   and name HB  ))
   (( segid "SF1 " and resid 35   and name HN  ))
      3.600     1.600     1.600 peak   298 spectrum    1 weight  0.10000E+01 volume  0.58602E-03 ppm1      8.981 ppm2      1.855 CV     1
 ASSI {  299}
   (  segid "SF1 " and resid 34   and name HG1%)
   (( segid "SF1 " and resid 35   and name HN  ))
      3.600     1.600     1.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.14306E-02 ppm1      8.980 ppm2      0.660 CV     1
 ASSI {  301}
   (( segid "SF1 " and resid 29   and name HN  ))
   (( segid "SF1 " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.28999E-02 ppm1      7.587 ppm2      8.819 CV     1
 ASSI {  302}
   (( segid "SF1 " and resid 31   and name HN  ))
   (( segid "SF1 " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.31628E-02 ppm1      7.586 ppm2      8.453 CV     1
 ASSI {  303}
   (( segid "SF1 " and resid 30   and name HA  ))
   (( segid "SF1 " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   303 spectrum    1 weight  0.10000E+01 volume  0.11419E-02 ppm1      7.589 ppm2      4.870 CV     1
 ASSI {  305}
   (( segid "SF1 " and resid 29   and name HA  ))
   (( segid "SF1 " and resid 30   and name HN  ))
      3.700     1.700     1.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.69805E-03 ppm1      7.587 ppm2      3.719 CV     1
 ASSI {  306}
   (( segid "SF1 " and resid 27   and name HB1 ))
   (( segid "SF1 " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   306 spectrum    1 weight  0.10000E+01 volume  0.10945E-02 ppm1      7.585 ppm2      3.283 CV     1
 ASSI {  307}
   (( segid "SF1 " and resid 29   and name HB  ))
   (( segid "SF1 " and resid 30   and name HN  ))
      2.500     0.800     0.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.38306E-02 ppm1      7.590 ppm2      2.993 CV     1
 ASSI {  308}
   (( segid "SF1 " and resid 27   and name HB2 ))
   (( segid "SF1 " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.93073E-03 ppm1      7.598 ppm2      2.767 CV     1
 ASSI {  310}
   (  segid "SF1 " and resid 29   and name HG1%)
   (( segid "SF1 " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.15038E-02 ppm1      7.594 ppm2      1.001 CV     1
 ASSI {  313}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 62   and name HN  ))
      3.200     3.200     2.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.50843E-03 ppm1      8.693 ppm2      7.751 CV     1
 ASSI {  314}
   (  segid "SF1 " and resid 61   and name HD% )
   (( segid "SF1 " and resid 62   and name HN  ))
      3.700     1.700     1.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.16762E-02 ppm1      8.694 ppm2      7.099 CV     1
 ASSI {  315}
   (  segid "SF1 " and resid 61   and name HE% )
   (( segid "SF1 " and resid 62   and name HN  ))
      5.700     4.000     0.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.30249E-03 ppm1      8.692 ppm2      6.535 CV     1
 ASSI {  316}
   (( segid "SF1 " and resid 61   and name HA  ))
   (( segid "SF1 " and resid 62   and name HN  ))
      2.400     0.700     0.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.62477E-02 ppm1      8.697 ppm2      5.198 CV     1
 ASSI {  318}
   (( segid "SF1 " and resid 62   and name HA  ))
   (( segid "SF1 " and resid 62   and name HN  ))
      3.000     1.100     1.100 peak   318 spectrum    1 weight  0.10000E+01 volume  0.17408E-02 ppm1      8.699 ppm2      4.318 CV     1
 ASSI {  319}
   (( segid "SF1 " and resid 81   and name HA  ))
   (( segid "SF1 " and resid 62   and name HN  ))
      5.200     3.300     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.40720E-03 ppm1      8.699 ppm2      4.189 CV     1
 ASSI {  320}
   (( segid "SF1 " and resid 61   and name HB1 ))
   (( segid "SF1 " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak   320 spectrum    1 weight  0.10000E+01 volume  0.31714E-02 ppm1      8.694 ppm2      3.601 CV     1
 ASSI {  321}
   (( segid "SF1 " and resid 61   and name HB2 ))
   (( segid "SF1 " and resid 62   and name HN  ))
      3.500     1.500     1.500 peak   321 spectrum    1 weight  0.10000E+01 volume  0.25767E-02 ppm1      8.698 ppm2      2.721 CV     1
 ASSI {  323}
   (( segid "SF1 " and resid 81   and name HB1 ))
   (( segid "SF1 " and resid 62   and name HN  ))
      4.100     2.100     1.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.83161E-03 ppm1      8.703 ppm2      3.062 CV     1
 ASSI {  326}
   (( segid "SF1 " and resid 69   and name HN  ))
   (( segid "SF1 " and resid 68   and name HN  ))
      2.700     0.900     0.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.42185E-02 ppm1      8.610 ppm2      9.494 CV     1
 ASSI {  327}
   (( segid "SF1 " and resid 67   and name HN  ))
   (( segid "SF1 " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.30550E-02 ppm1      8.612 ppm2      9.349 CV     1
 ASSI {  328}
   (( segid "SF1 " and resid 66   and name HN  ))
   (( segid "SF1 " and resid 68   and name HN  ))
      3.600     1.600     1.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.12237E-02 ppm1      8.612 ppm2      8.909 CV     1
 ASSI {  329}
   (( segid "SF1 " and resid 68   and name HA  ))
   (( segid "SF1 " and resid 68   and name HN  ))
      2.900     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.28568E-02 ppm1      8.612 ppm2      4.775 CV     1
 ASSI {  332}
   (( segid "SF1 " and resid 68   and name HB1 ))
   (( segid "SF1 " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.53001E-02 ppm1      8.613 ppm2      3.789 CV     1
 ASSI {  333}
   (( segid "SF1 " and resid 69   and name HB2 ))
   (( segid "SF1 " and resid 68   and name HN  ))
      4.800     2.900     1.200 peak   333 spectrum    1 weight  0.10000E+01 volume  0.35592E-03 ppm1      8.617 ppm2      2.575 CV     1
 ASSI {  334}
   (( segid "SF1 " and resid 67   and name HB1 ))
   (( segid "SF1 " and resid 68   and name HN  ))
      3.800     1.800     1.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      8.609 ppm2      2.407 CV     1
 ASSI {  335}
   (( segid "SF1 " and resid 67   and name HG1 ))
   (( segid "SF1 " and resid 68   and name HN  ))
      3.900     1.900     1.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.11763E-02 ppm1      8.615 ppm2      2.164 CV     1
 ASSI {  336}
   (( segid "SF1 " and resid 67   and name HG2 ))
   (( segid "SF1 " and resid 68   and name HN  ))
      4.500     2.600     1.500 peak   336 spectrum    1 weight  0.10000E+01 volume  0.60324E-03 ppm1      8.616 ppm2      1.875 CV     1
 ASSI {  337}
   (( segid "SF1 " and resid 60   and name HN  ))
   (( segid "SF1 " and resid 59   and name HN  ))
      4.900     3.000     1.100 peak   337 spectrum    1 weight  0.10000E+01 volume  0.45675E-03 ppm1      7.717 ppm2      8.224 CV     1
 ASSI {  339}
   (( segid "SF1 " and resid 57   and name HN  ))
   (( segid "SF1 " and resid 59   and name HN  ))
      4.200     2.200     1.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.58171E-03 ppm1      7.727 ppm2      6.787 CV     1
 ASSI {  340}
   (( segid "SF1 " and resid 58   and name HA  ))
   (( segid "SF1 " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.60324E-02 ppm1      7.718 ppm2      4.146 CV     1
 ASSI {  341}
   (( segid "SF1 " and resid 59   and name HA  ))
   (( segid "SF1 " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.30335E-02 ppm1      7.718 ppm2      3.760 CV     1
 ASSI {  342}
   (( segid "SF1 " and resid 55   and name HA  ))
   (( segid "SF1 " and resid 59   and name HN  ))
      3.800     1.800     1.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.68510E-03 ppm1      7.721 ppm2      3.392 CV     1
 ASSI {  344}
   (( segid "SF1 " and resid 58   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HN  ))
      3.600     1.600     1.600 peak   344 spectrum    1 weight  0.10000E+01 volume  0.15728E-02 ppm1      7.723 ppm2      2.963 CV     1
 ASSI {  345}
   (( segid "SF1 " and resid 57   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HN  ))
      4.600     2.700     1.400 peak   345 spectrum    1 weight  0.10000E+01 volume  0.41150E-03 ppm1      7.721 ppm2      2.814 CV     1
 ASSI {  346}
   (( segid "SF1 " and resid 58   and name HB2 ))
   (( segid "SF1 " and resid 59   and name HN  ))
      3.400     1.400     1.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.14047E-02 ppm1      7.718 ppm2      2.471 CV     1
 ASSI {  348}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 59   and name HN  ))
      2.300     0.600     0.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.32748E-02 ppm1      7.719 ppm2      1.312 CV     1
 ASSI {  349}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (( segid "SF1 " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.96521E-02 ppm1      7.719 ppm2      1.097 CV     1
 OR {  349}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (( segid "SF1 " and resid 59   and name HN  ))
 ASSI {  350}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 59   and name HN  ))
      3.200     1.200     1.200 peak   350 spectrum    1 weight  0.10000E+01 volume  0.21157E-02 ppm1      7.723 ppm2     -0.130 CV     1
 ASSI {  352}
   (( segid "SF1 " and resid 96   and name HN  ))
   (( segid "SF1 " and resid 95   and name HN  ))
      2.700     0.900     0.900 peak   352 spectrum    1 weight  0.10000E+01 volume  0.21329E-02 ppm1      9.750 ppm2      7.759 CV     1
 ASSI {  355}
   (( segid "SF1 " and resid 94   and name HA  ))
   (( segid "SF1 " and resid 95   and name HN  ))
      3.600     1.600     1.600 peak   355 spectrum    1 weight  0.10000E+01 volume  0.65494E-03 ppm1      9.751 ppm2      4.054 CV     1
 ASSI {  356}
   (( segid "SF1 " and resid 95   and name HG2 ))
   (( segid "SF1 " and resid 95   and name HN  ))
      2.600     0.900     0.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.28008E-02 ppm1      9.753 ppm2      2.397 CV     1
 OR {  356}
   (( segid "SF1 " and resid 95   and name HG1 ))
   (( segid "SF1 " and resid 95   and name HN  ))
 ASSI {  357}
   (( segid "SF1 " and resid 95   and name HB1 ))
   (( segid "SF1 " and resid 95   and name HN  ))
      2.700     0.900     0.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.53433E-02 ppm1      9.754 ppm2      2.206 CV     1
 OR {  357}
   (( segid "SF1 " and resid 95   and name HB2 ))
   (( segid "SF1 " and resid 95   and name HN  ))
 ASSI {  359}
   (( segid "SF1 " and resid 94   and name HB2 ))
   (( segid "SF1 " and resid 95   and name HN  ))
      2.900     1.100     1.100 peak   359 spectrum    1 weight  0.10000E+01 volume  0.21760E-02 ppm1      9.753 ppm2      1.572 CV     1
 ASSI {  360}
   (  segid "SF1 " and resid 94   and name HD1%)
   (( segid "SF1 " and resid 95   and name HN  ))
      3.100     1.200     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.62477E-03 ppm1      9.745 ppm2      1.003 CV     1
 ASSI {  361}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 95   and name HN  ))
      3.400     1.500     1.500 peak   361 spectrum    1 weight  0.10000E+01 volume  0.33523E-03 ppm1      9.744 ppm2      7.163 CV     1
 OR {  361}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 95   and name HN  ))
 ASSI {  364}
   (( segid "SF1 " and resid 46   and name HB1 ))
   (( segid "SF1 " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak   364 spectrum    1 weight  0.10000E+01 volume  0.19003E-02 ppm1      9.927 ppm2      4.349 CV     1
 OR {  364}
   (( segid "SF1 " and resid 46   and name HB2 ))
   (( segid "SF1 " and resid 47   and name HN  ))
 OR {  364}
   (( segid "SF1 " and resid 46   and name HA  ))
   (( segid "SF1 " and resid 47   and name HN  ))
 ASSI {  365}
   (( segid "SF1 " and resid 47   and name HA  ))
   (( segid "SF1 " and resid 47   and name HN  ))
      3.500     1.500     1.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.76269E-03 ppm1      9.934 ppm2      4.106 CV     1
 ASSI {  366}
   (( segid "SF1 " and resid 47   and name HB2 ))
   (( segid "SF1 " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.27276E-02 ppm1      9.923 ppm2      2.957 CV     1
 ASSI {  371}
   (( segid "SF1 " and resid 54   and name HN  ))
   (( segid "SF1 " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.22191E-02 ppm1      8.045 ppm2      7.631 CV     1
 ASSI {  373}
   (( segid "SF1 " and resid 52   and name HA  ))
   (( segid "SF1 " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak   373 spectrum    1 weight  0.10000E+01 volume  0.90488E-03 ppm1      8.046 ppm2      3.461 CV     1
 ASSI {  374}
   (( segid "SF1 " and resid 52   and name HE2 ))
   (( segid "SF1 " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.49984E-03 ppm1      8.046 ppm2      2.697 CV     1
 OR {  374}
   (( segid "SF1 " and resid 52   and name HE1 ))
   (( segid "SF1 " and resid 53   and name HN  ))
 ASSI {  375}
   (( segid "SF1 " and resid 52   and name HB1 ))
   (( segid "SF1 " and resid 53   and name HN  ))
      3.300     1.400     1.400 peak   375 spectrum    1 weight  0.10000E+01 volume  0.14823E-02 ppm1      8.041 ppm2      2.487 CV     1
 ASSI {  376}
   (( segid "SF1 " and resid 53   and name HB2 ))
   (( segid "SF1 " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.54291E-02 ppm1      8.047 ppm2      1.753 CV     1
 OR {  376}
   (( segid "SF1 " and resid 53   and name HB1 ))
   (( segid "SF1 " and resid 53   and name HN  ))
 ASSI {  377}
   (( segid "SF1 " and resid 53   and name HG1 ))
   (( segid "SF1 " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.43951E-02 ppm1      8.046 ppm2      1.570 CV     1
 OR {  377}
   (( segid "SF1 " and resid 53   and name HG2 ))
   (( segid "SF1 " and resid 53   and name HN  ))
 ASSI {  378}
   (( segid "SF1 " and resid 52   and name HG2 ))
   (( segid "SF1 " and resid 53   and name HN  ))
      4.000     2.000     2.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.66788E-03 ppm1      8.044 ppm2      1.047 CV     1
 ASSI {  379}
   (( segid "SF1 " and resid 52   and name HB2 ))
   (( segid "SF1 " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.25767E-02 ppm1      8.044 ppm2      1.850 CV     1
 ASSI {  380}
   (( segid "SF1 " and resid 76   and name HN  ))
   (( segid "SF1 " and resid 77   and name HN  ))
      2.800     1.000     1.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.16374E-02 ppm1      7.554 ppm2      7.975 CV     1
 ASSI {  382}
   (( segid "SF1 " and resid 75   and name HA  ))
   (( segid "SF1 " and resid 77   and name HN  ))
      3.400     1.500     1.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      7.555 ppm2      4.432 CV     1
 ASSI {  387}
   (( segid "SF1 " and resid 77   and name HG1 ))
   (( segid "SF1 " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak   387 spectrum    1 weight  0.10000E+01 volume  0.33566E-02 ppm1      7.559 ppm2      1.381 CV     1
 ASSI {  388}
   (( segid "SF1 " and resid 77   and name HG2 ))
   (( segid "SF1 " and resid 77   and name HN  ))
      2.700     0.900     0.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.39298E-02 ppm1      7.556 ppm2      1.255 CV     1
 ASSI {  390}
   (( segid "SF1 " and resid 78   and name HB1 ))
   (( segid "SF1 " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak   390 spectrum    1 weight  0.10000E+01 volume  0.24432E-02 ppm1      7.559 ppm2      1.927 CV     1
 OR {  390}
   (( segid "SF1 " and resid 78   and name HB2 ))
   (( segid "SF1 " and resid 77   and name HN  ))
 ASSI {  391}
   (( segid "SF1 " and resid 107  and name HA  ))
   (( segid "SF1 " and resid 108  and name HN  ))
      3.100     1.200     1.200 peak   391 spectrum    1 weight  0.10000E+01 volume  0.18356E-02 ppm1      8.163 ppm2      4.859 CV     1
 ASSI {  393}
   (( segid "SF1 " and resid 108  and name HA  ))
   (( segid "SF1 " and resid 108  and name HN  ))
      3.200     1.300     1.300 peak   393 spectrum    1 weight  0.10000E+01 volume  0.13573E-02 ppm1      8.161 ppm2      4.140 CV     1
 ASSI {  395}
   (( segid "SF1 " and resid 107  and name HB2 ))
   (( segid "SF1 " and resid 108  and name HN  ))
      4.100     2.100     1.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.63772E-03 ppm1      8.166 ppm2      2.948 CV     1
 ASSI {  396}
   (( segid "SF1 " and resid 108  and name HB1 ))
   (( segid "SF1 " and resid 108  and name HN  ))
      2.800     1.000     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.22363E-02 ppm1      8.166 ppm2      1.660 CV     1
 ASSI {  397}
   (( segid "SF1 " and resid 108  and name HG1 ))
   (( segid "SF1 " and resid 108  and name HN  ))
      3.700     1.700     1.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.89625E-03 ppm1      8.168 ppm2      1.091 CV     1
 ASSI {  398}
   (( segid "SF1 " and resid 108  and name HG2 ))
   (( segid "SF1 " and resid 108  and name HN  ))
      3.700     1.700     1.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.55586E-03 ppm1      8.158 ppm2      0.684 CV     1
 ASSI {  399}
   (( segid "SF1 " and resid 84   and name HN  ))
   (( segid "SF1 " and resid 85   and name HN  ))
      3.000     1.100     1.100 peak   399 spectrum    1 weight  0.10000E+01 volume  0.17020E-02 ppm1      8.352 ppm2      9.240 CV     1
 ASSI {  402}
   (( segid "SF1 " and resid 84   and name HA  ))
   (( segid "SF1 " and resid 85   and name HN  ))
      4.300     2.300     1.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.35980E-03 ppm1      8.344 ppm2      4.725 CV     1
 ASSI {  404}
   (( segid "SF1 " and resid 82   and name HA  ))
   (( segid "SF1 " and resid 85   and name HN  ))
      3.500     1.500     1.500 peak   404 spectrum    1 weight  0.10000E+01 volume  0.77559E-03 ppm1      8.353 ppm2      4.032 CV     1
 ASSI {  405}
   (( segid "SF1 " and resid 85   and name HA  ))
   (( segid "SF1 " and resid 85   and name HN  ))
      2.600     0.900     0.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.29904E-02 ppm1      8.352 ppm2      3.753 CV     1
 ASSI {  406}
   (( segid "SF1 " and resid 84   and name HB2 ))
   (( segid "SF1 " and resid 85   and name HN  ))
      4.200     2.200     1.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.12582E-02 ppm1      8.352 ppm2      3.534 CV     1
 ASSI {  408}
   (( segid "SF1 " and resid 85   and name HB1 ))
   (( segid "SF1 " and resid 85   and name HN  ))
      3.100     1.200     1.200 peak   408 spectrum    1 weight  0.10000E+01 volume  0.49984E-02 ppm1      8.353 ppm2      1.990 CV     1
 ASSI {  409}
   (( segid "SF1 " and resid 85   and name HB2 ))
   (( segid "SF1 " and resid 85   and name HN  ))
      2.300     0.700     0.700 peak   409 spectrum    1 weight  0.10000E+01 volume  0.44813E-02 ppm1      8.353 ppm2      1.839 CV     1
 ASSI {  415}
   (( segid "SF1 " and resid 75   and name HA  ))
   (( segid "SF1 " and resid 78   and name HN  ))
      3.300     1.300     1.300 peak   415 spectrum    1 weight  0.10000E+01 volume  0.10083E-02 ppm1      7.615 ppm2      4.446 CV     1
 ASSI {  417}
   (( segid "SF1 " and resid 54   and name HB  ))
   (( segid "SF1 " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak   417 spectrum    1 weight  0.10000E+01 volume  0.37617E-02 ppm1      7.623 ppm2      3.543 CV     1
 ASSI {  418}
   (( segid "SF1 " and resid 54   and name HA  ))
   (( segid "SF1 " and resid 54   and name HN  ))
      2.600     0.900     0.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.37746E-02 ppm1      7.621 ppm2      3.163 CV     1
 ASSI {  419}
   (( segid "SF1 " and resid 78   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HN  ))
      2.300     0.600     0.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.98674E-02 ppm1      7.616 ppm2      1.926 CV     1
 OR {  419}
   (( segid "SF1 " and resid 78   and name HB2 ))
   (( segid "SF1 " and resid 78   and name HN  ))
 ASSI {  421}
   (  segid "SF1 " and resid 55   and name HG2%)
   (( segid "SF1 " and resid 54   and name HN  ))
      4.500     2.500     1.500 peak   421 spectrum    1 weight  0.10000E+01 volume  0.57739E-03 ppm1      7.624 ppm2      0.270 CV     1
 ASSI {  422}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 54   and name HN  ))
      3.900     1.900     1.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.623 ppm2     -0.133 CV     1
 ASSI {  423}
   (( segid "SF1 " and resid 79   and name HB2 ))
   (( segid "SF1 " and resid 78   and name HN  ))
      4.500     2.600     1.500 peak   423 spectrum    1 weight  0.10000E+01 volume  0.53859E-03 ppm1      7.619 ppm2      2.804 CV     1
 OR {  423}
   (( segid "SF1 " and resid 79   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HN  ))
 ASSI {  424}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 78   and name HN  ))
      4.500     2.500     1.500 peak   424 spectrum    1 weight  0.10000E+01 volume  0.34902E-03 ppm1      7.614 ppm2      2.377 CV     1
 OR {  424}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 78   and name HN  ))
 OR {  424}
   (( segid "SF1 " and resid 75   and name HG1 ))
   (( segid "SF1 " and resid 78   and name HN  ))
 ASSI {  426}
   (( segid "SF1 " and resid 89   and name HN  ))
   (( segid "SF1 " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.19649E-02 ppm1      7.592 ppm2      8.635 CV     1
 ASSI {  427}
   (( segid "SF1 " and resid 87   and name HN  ))
   (( segid "SF1 " and resid 88   and name HN  ))
      3.000     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.12668E-02 ppm1      7.589 ppm2      8.525 CV     1
 ASSI {  428}
   (( segid "SF1 " and resid 88   and name HA  ))
   (( segid "SF1 " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak   428 spectrum    1 weight  0.10000E+01 volume  0.30636E-02 ppm1      7.591 ppm2      4.170 CV     1
 ASSI {  430}
   (( segid "SF1 " and resid 87   and name HB2 ))
   (( segid "SF1 " and resid 88   and name HN  ))
      2.900     1.000     1.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.12798E-02 ppm1      7.588 ppm2      3.044 CV     1
 ASSI {  431}
   (( segid "SF1 " and resid 88   and name HB1 ))
   (( segid "SF1 " and resid 88   and name HN  ))
      3.300     1.400     1.400 peak   431 spectrum    1 weight  0.10000E+01 volume  0.40332E-02 ppm1      7.591 ppm2      1.816 CV     1
 ASSI {  432}
   (( segid "SF1 " and resid 88   and name HB2 ))
   (( segid "SF1 " and resid 88   and name HN  ))
      2.500     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.26844E-02 ppm1      7.592 ppm2      1.357 CV     1
 ASSI {  433}
   (( segid "SF1 " and resid 88   and name HG  ))
   (( segid "SF1 " and resid 88   and name HN  ))
      2.600     0.900     0.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.49984E-02 ppm1      7.590 ppm2      1.179 CV     1
 ASSI {  434}
   (  segid "SF1 " and resid 88   and name HD1%)
   (( segid "SF1 " and resid 88   and name HN  ))
      2.900     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.23268E-02 ppm1      7.591 ppm2      0.808 CV     1
 ASSI {  435}
   (  segid "SF1 " and resid 88   and name HD2%)
   (( segid "SF1 " and resid 88   and name HN  ))
      3.500     1.500     1.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.22019E-02 ppm1      7.591 ppm2      0.596 CV     1
 ASSI {  436}
   (  segid "SF1 " and resid 51   and name HE% )
   (( segid "SF1 " and resid 88   and name HN  ))
      4.000     2.000     2.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.55154E-03 ppm1      7.597 ppm2      6.844 CV     1
 ASSI {  437}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 88   and name HN  ))
      3.800     1.800     1.800 peak   437 spectrum    1 weight  0.10000E+01 volume  0.93936E-03 ppm1      7.591 ppm2      0.929 CV     1
 OR {  437}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 88   and name HN  ))
 ASSI {  439}
   (( segid "SF1 " and resid 21   and name HA  ))
   (( segid "SF1 " and resid 22   and name HN  ))
      2.300     0.700     0.700 peak   439 spectrum    1 weight  0.10000E+01 volume  0.87472E-02 ppm1      8.174 ppm2      4.295 CV     1
 ASSI {  440}
   (( segid "SF1 " and resid 22   and name HB2 ))
   (( segid "SF1 " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.41926E-02 ppm1      8.174 ppm2      3.845 CV     1
 OR {  440}
   (( segid "SF1 " and resid 22   and name HB1 ))
   (( segid "SF1 " and resid 22   and name HN  ))
 ASSI {  441}
   (( segid "SF1 " and resid 21   and name HG1 ))
   (( segid "SF1 " and resid 22   and name HN  ))
      4.000     2.000     2.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.85319E-03 ppm1      8.171 ppm2      2.269 CV     1
 OR {  441}
   (( segid "SF1 " and resid 21   and name HG2 ))
   (( segid "SF1 " and resid 22   and name HN  ))
 ASSI {  442}
   (( segid "SF1 " and resid 21   and name HB1 ))
   (( segid "SF1 " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   442 spectrum    1 weight  0.10000E+01 volume  0.15038E-02 ppm1      8.175 ppm2      2.061 CV     1
 ASSI {  443}
   (( segid "SF1 " and resid 21   and name HB2 ))
   (( segid "SF1 " and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.96090E-03 ppm1      8.173 ppm2      1.920 CV     1
 ASSI {  445}
   (( segid "SF1 " and resid 23   and name HN  ))
   (( segid "SF1 " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.87040E-03 ppm1      8.173 ppm2      8.390 CV     1
 ASSI {  447}
   (( segid "SF1 " and resid 43   and name HB  ))
   (( segid "SF1 " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.23311E-02 ppm1      8.838 ppm2      4.839 CV     1
 ASSI {  450}
   (( segid "SF1 " and resid 27   and name HB1 ))
   (( segid "SF1 " and resid 44   and name HN  ))
      4.100     2.100     1.900 peak   450 spectrum    1 weight  0.10000E+01 volume  0.60324E-03 ppm1      8.832 ppm2      3.262 CV     1
 ASSI {  451}
   (( segid "SF1 " and resid 47   and name HB2 ))
   (( segid "SF1 " and resid 44   and name HN  ))
      3.500     1.600     1.600 peak   451 spectrum    1 weight  0.10000E+01 volume  0.77991E-03 ppm1      8.840 ppm2      2.964 CV     1
 OR {  451}
   (( segid "SF1 " and resid 47   and name HB1 ))
   (( segid "SF1 " and resid 44   and name HN  ))
 ASSI {  452}
   (( segid "SF1 " and resid 27   and name HB2 ))
   (( segid "SF1 " and resid 44   and name HN  ))
      3.500     1.600     1.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.62477E-03 ppm1      8.834 ppm2      2.810 CV     1
 ASSI {  453}
   (( segid "SF1 " and resid 44   and name HB2 ))
   (( segid "SF1 " and resid 44   and name HN  ))
      3.800     1.800     1.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.81439E-03 ppm1      8.840 ppm2      2.555 CV     1
 ASSI {  455}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 44   and name HN  ))
      4.100     2.100     1.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.51275E-03 ppm1      8.849 ppm2      0.654 CV     1
 OR {  455}
   (  segid "SF1 " and resid 34   and name HG1%)
   (( segid "SF1 " and resid 44   and name HN  ))
 ASSI {  456}
   (( segid "SF1 " and resid 26   and name HA  ))
   (( segid "SF1 " and resid 34   and name HN  ))
      3.400     1.500     1.500 peak   456 spectrum    1 weight  0.10000E+01 volume  0.85319E-03 ppm1      7.791 ppm2      4.700 CV     1
 ASSI {  458}
   (( segid "SF1 " and resid 34   and name HA  ))
   (( segid "SF1 " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak   458 spectrum    1 weight  0.10000E+01 volume  0.65067E-03 ppm1      7.791 ppm2      3.670 CV     1
 ASSI {  462}
   (( segid "SF1 " and resid 55   and name HN  ))
   (( segid "SF1 " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.22363E-02 ppm1      8.837 ppm2      7.653 CV     1
 ASSI {  465}
   (( segid "SF1 " and resid 55   and name HA  ))
   (( segid "SF1 " and resid 56   and name HN  ))
      3.400     1.400     1.400 peak   465 spectrum    1 weight  0.10000E+01 volume  0.11203E-02 ppm1      8.836 ppm2      3.405 CV     1
 ASSI {  468}
   (( segid "SF1 " and resid 56   and name HG2 ))
   (( segid "SF1 " and resid 56   and name HN  ))
      3.000     1.100     1.100 peak   468 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      8.838 ppm2      2.142 CV     1
 ASSI {  469}
   (( segid "SF1 " and resid 56   and name HB1 ))
   (( segid "SF1 " and resid 56   and name HN  ))
      3.500     1.600     1.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.29301E-02 ppm1      8.834 ppm2      2.055 CV     1
 ASSI {  471}
   (( segid "SF1 " and resid 55   and name HB  ))
   (( segid "SF1 " and resid 56   and name HN  ))
      2.600     0.900     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.33696E-02 ppm1      8.837 ppm2      1.554 CV     1
 ASSI {  473}
   (  segid "SF1 " and resid 55   and name HG2%)
   (( segid "SF1 " and resid 56   and name HN  ))
      3.400     1.500     1.500 peak   473 spectrum    1 weight  0.10000E+01 volume  0.10040E-02 ppm1      8.835 ppm2      0.272 CV     1
 ASSI {  480}
   (( segid "SF1 " and resid 102  and name HB1 ))
   (( segid "SF1 " and resid 102  and name HN  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.43951E-02 ppm1      7.295 ppm2      2.066 CV     1
 ASSI {  481}
   (( segid "SF1 " and resid 102  and name HB2 ))
   (( segid "SF1 " and resid 102  and name HN  ))
      2.700     0.900     0.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.29990E-02 ppm1      7.296 ppm2      1.884 CV     1
 ASSI {  484}
   (( segid "SF1 " and resid 39   and name HA  ))
   (( segid "SF1 " and resid 39   and name HN  ))
      2.800     1.000     1.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.24173E-02 ppm1      9.850 ppm2      3.635 CV     1
 ASSI {  486}
   (  segid "SF1 " and resid 39   and name HD% )
   (( segid "SF1 " and resid 39   and name HN  ))
      4.500     2.500     1.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.21415E-03 ppm1      9.849 ppm2      6.857 CV     1
 ASSI {  487}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak   487 spectrum    1 weight  0.10000E+01 volume  0.18701E-02 ppm1      7.334 ppm2      6.721 CV     1
 ASSI {  490}
   (( segid "SF1 " and resid 37   and name HA  ))
   (( segid "SF1 " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak   490 spectrum    1 weight  0.10000E+01 volume  0.41064E-03 ppm1      7.332 ppm2      3.883 CV     1
 ASSI {  491}
   (( segid "SF1 " and resid 36   and name HA2 ))
   (( segid "SF1 " and resid 37   and name HN  ))
      3.000     1.200     1.200 peak   491 spectrum    1 weight  0.10000E+01 volume  0.20425E-02 ppm1      7.334 ppm2      3.352 CV     1
 ASSI {  492}
   (( segid "SF1 " and resid 37   and name HB1 ))
   (( segid "SF1 " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak   492 spectrum    1 weight  0.10000E+01 volume  0.23096E-02 ppm1      7.337 ppm2      2.084 CV     1
 ASSI {  493}
   (( segid "SF1 " and resid 37   and name HB2 ))
   (( segid "SF1 " and resid 37   and name HN  ))
      3.500     1.600     1.600 peak   493 spectrum    1 weight  0.10000E+01 volume  0.53001E-03 ppm1      7.338 ppm2      1.710 CV     1
 ASSI {  494}
   (  segid "SF1 " and resid 42   and name HD2%)
   (( segid "SF1 " and resid 37   and name HN  ))
      3.200     1.200     1.200 peak   494 spectrum    1 weight  0.10000E+01 volume  0.51275E-03 ppm1      7.332 ppm2     -0.274 CV     1
 ASSI {  495}
   (( segid "SF1 " and resid 113  and name HN  ))
   (( segid "SF1 " and resid 112  and name HN  ))
      2.800     0.900     0.900 peak   495 spectrum    1 weight  0.10000E+01 volume  0.23785E-02 ppm1      7.396 ppm2      7.744 CV     1
 ASSI {  496}
   (( segid "SF1 " and resid 111  and name HA  ))
   (( segid "SF1 " and resid 112  and name HN  ))
      3.400     1.400     1.400 peak   496 spectrum    1 weight  0.10000E+01 volume  0.11419E-02 ppm1      7.412 ppm2      4.196 CV     1
 ASSI {  501}
   (( segid "SF1 " and resid 112  and name HG2 ))
   (( segid "SF1 " and resid 112  and name HN  ))
      2.400     0.700     0.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.62477E-02 ppm1      7.397 ppm2      2.047 CV     1
 OR {  501}
   (( segid "SF1 " and resid 112  and name HG1 ))
   (( segid "SF1 " and resid 112  and name HN  ))
 ASSI {  502}
   (( segid "SF1 " and resid 59   and name HN  ))
   (( segid "SF1 " and resid 58   and name HN  ))
      2.200     0.600     0.600 peak   502 spectrum    1 weight  0.10000E+01 volume  0.79286E-02 ppm1      7.542 ppm2      7.725 CV     1
 ASSI {  504}
   (( segid "SF1 " and resid 57   and name HA  ))
   (( segid "SF1 " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak   504 spectrum    1 weight  0.10000E+01 volume  0.18873E-02 ppm1      7.543 ppm2      4.722 CV     1
 ASSI {  505}
   (( segid "SF1 " and resid 58   and name HA  ))
   (( segid "SF1 " and resid 58   and name HN  ))
      2.100     0.500     0.500 peak   505 spectrum    1 weight  0.10000E+01 volume  0.13315E-01 ppm1      7.543 ppm2      4.146 CV     1
 ASSI {  508}
   (( segid "SF1 " and resid 57   and name HB1 ))
   (( segid "SF1 " and resid 58   and name HN  ))
      4.200     2.200     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.68510E-03 ppm1      7.542 ppm2      2.828 CV     1
 ASSI {  509}
   (( segid "SF1 " and resid 58   and name HB2 ))
   (( segid "SF1 " and resid 58   and name HN  ))
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.33610E-02 ppm1      7.543 ppm2      2.480 CV     1
 ASSI {  510}
   (( segid "SF1 " and resid 56   and name HB1 ))
   (( segid "SF1 " and resid 58   and name HN  ))
      5.000     3.200     1.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.38048E-03 ppm1      7.540 ppm2      2.063 CV     1
 ASSI {  511}
   (( segid "SF1 " and resid 56   and name HB2 ))
   (( segid "SF1 " and resid 58   and name HN  ))
      4.800     2.900     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.40030E-03 ppm1      7.544 ppm2      1.619 CV     1
 ASSI {  512}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 58   and name HN  ))
      4.400     2.400     1.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.38737E-03 ppm1      7.545 ppm2      1.308 CV     1
 ASSI {  513}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (( segid "SF1 " and resid 58   and name HN  ))
      4.100     2.200     1.900 peak   513 spectrum    1 weight  0.10000E+01 volume  0.88762E-03 ppm1      7.541 ppm2      1.083 CV     1
 ASSI {  514}
   (  segid "SF1 " and resid 55   and name HG1%)
   (( segid "SF1 " and resid 58   and name HN  ))
      4.500     2.500     1.500 peak   514 spectrum    1 weight  0.10000E+01 volume  0.39513E-03 ppm1      7.541 ppm2      0.791 CV     1
 ASSI {  515}
   (  segid "SF1 " and resid 55   and name HG2%)
   (( segid "SF1 " and resid 58   and name HN  ))
      5.300     3.400     0.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.17796E-03 ppm1      7.536 ppm2      0.259 CV     1
 ASSI {  516}
   (( segid "SF1 " and resid 56   and name HN  ))
   (( segid "SF1 " and resid 58   and name HN  ))
      4.100     2.100     1.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.40720E-03 ppm1      7.541 ppm2      8.844 CV     1
 ASSI {  517}
   (( segid "SF1 " and resid 67   and name HN  ))
   (( segid "SF1 " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.34816E-02 ppm1      8.907 ppm2      9.333 CV     1
 ASSI {  523}
   (( segid "SF1 " and resid 65   and name HB1 ))
   (( segid "SF1 " and resid 66   and name HN  ))
      2.600     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.69805E-02 ppm1      8.905 ppm2      2.175 CV     1
 ASSI {  525}
   (( segid "SF1 " and resid 42   and name HN  ))
   (( segid "SF1 " and resid 41   and name HN  ))
      4.700     2.700     1.300 peak   525 spectrum    1 weight  0.10000E+01 volume  0.29689E-03 ppm1      7.659 ppm2      8.182 CV     1
 ASSI {  526}
   (( segid "SF1 " and resid 40   and name HN  ))
   (( segid "SF1 " and resid 41   and name HN  ))
      3.000     1.100     1.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.16029E-02 ppm1      7.661 ppm2      8.379 CV     1
 ASSI {  528}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 41   and name HN  ))
      3.800     1.800     1.800 peak   528 spectrum    1 weight  0.10000E+01 volume  0.68942E-03 ppm1      7.656 ppm2      6.729 CV     1
 OR {  528}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 41   and name HN  ))
 ASSI {  529}
   (  segid "SF1 " and resid 113  and name HE% )
   (( segid "SF1 " and resid 41   and name HN  ))
      3.300     1.300     1.300 peak   529 spectrum    1 weight  0.10000E+01 volume  0.41323E-03 ppm1      7.666 ppm2      6.465 CV     1
 ASSI {  530}
   (( segid "SF1 " and resid 41   and name HA  ))
   (( segid "SF1 " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.28913E-02 ppm1      7.661 ppm2      4.828 CV     1
 ASSI {  531}
   (( segid "SF1 " and resid 40   and name HA1 ))
   (( segid "SF1 " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak   531 spectrum    1 weight  0.10000E+01 volume  0.19821E-02 ppm1      7.661 ppm2      4.498 CV     1
 ASSI {  532}
   (( segid "SF1 " and resid 37   and name HA  ))
   (( segid "SF1 " and resid 41   and name HN  ))
      4.300     2.300     1.700 peak   532 spectrum    1 weight  0.10000E+01 volume  0.44813E-03 ppm1      7.661 ppm2      3.865 CV     1
 ASSI {  533}
   (( segid "SF1 " and resid 40   and name HA2 ))
   (( segid "SF1 " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.14349E-02 ppm1      7.663 ppm2      3.244 CV     1
 ASSI {  534}
   (( segid "SF1 " and resid 41   and name HB1 ))
   (( segid "SF1 " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak   534 spectrum    1 weight  0.10000E+01 volume  0.16503E-02 ppm1      7.663 ppm2      1.775 CV     1
 ASSI {  535}
   (( segid "SF1 " and resid 41   and name HB2 ))
   (( segid "SF1 " and resid 41   and name HN  ))
      3.300     1.400     1.400 peak   535 spectrum    1 weight  0.10000E+01 volume  0.12970E-02 ppm1      7.657 ppm2      1.587 CV     1
 ASSI {  536}
   (( segid "SF1 " and resid 41   and name HG  ))
   (( segid "SF1 " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak   536 spectrum    1 weight  0.10000E+01 volume  0.20812E-02 ppm1      7.661 ppm2      1.466 CV     1
 ASSI {  537}
   (  segid "SF1 " and resid 41   and name HD2%)
   (( segid "SF1 " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.36238E-02 ppm1      7.661 ppm2      0.720 CV     1
 OR {  537}
   (  segid "SF1 " and resid 41   and name HD1%)
   (( segid "SF1 " and resid 41   and name HN  ))
 ASSI {  540}
   (( segid "SF1 " and resid 41   and name HN  ))
   (( segid "SF1 " and resid 38   and name HN  ))
      3.100     1.200     1.200 peak   540 spectrum    1 weight  0.10000E+01 volume  0.14478E-02 ppm1      9.203 ppm2      7.658 CV     1
 ASSI {  541}
   (( segid "SF1 " and resid 43   and name HN  ))
   (( segid "SF1 " and resid 38   and name HN  ))
      3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.67220E-03 ppm1      9.197 ppm2      8.030 CV     1
 ASSI {  542}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 38   and name HN  ))
      4.000     2.000     2.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.63772E-03 ppm1      9.210 ppm2      6.715 CV     1
 ASSI {  543}
   (( segid "SF1 " and resid 38   and name HA  ))
   (( segid "SF1 " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.38436E-03 ppm1      9.210 ppm2      5.065 CV     1
 ASSI {  544}
   (( segid "SF1 " and resid 42   and name HA  ))
   (( segid "SF1 " and resid 38   and name HN  ))
      3.600     1.600     1.600 peak   544 spectrum    1 weight  0.10000E+01 volume  0.11806E-02 ppm1      9.206 ppm2      4.424 CV     1
 ASSI {  545}
   (( segid "SF1 " and resid 37   and name HA  ))
   (( segid "SF1 " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak   545 spectrum    1 weight  0.10000E+01 volume  0.35247E-02 ppm1      9.205 ppm2      3.880 CV     1
 ASSI {  546}
   (( segid "SF1 " and resid 38   and name HB1 ))
   (( segid "SF1 " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak   546 spectrum    1 weight  0.10000E+01 volume  0.68942E-03 ppm1      9.203 ppm2      3.648 CV     1
 ASSI {  547}
   (( segid "SF1 " and resid 37   and name HB2 ))
   (( segid "SF1 " and resid 38   and name HN  ))
      4.600     2.700     1.400 peak   547 spectrum    1 weight  0.10000E+01 volume  0.54723E-03 ppm1      9.207 ppm2      1.717 CV     1
 ASSI {  548}
   (( segid "SF1 " and resid 90   and name HN  ))
   (( segid "SF1 " and resid 89   and name HN  ))
      2.600     0.800     0.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.29947E-02 ppm1      8.628 ppm2      8.310 CV     1
 ASSI {  554}
   (( segid "SF1 " and resid 89   and name HB  ))
   (( segid "SF1 " and resid 89   and name HN  ))
      2.400     0.700     0.700 peak   554 spectrum    1 weight  0.10000E+01 volume  0.43520E-02 ppm1      8.631 ppm2      4.338 CV     1
 ASSI {  558}
   (( segid "SF1 " and resid 85   and name HA  ))
   (( segid "SF1 " and resid 89   and name HN  ))
      3.600     1.600     1.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.90920E-03 ppm1      8.625 ppm2      3.752 CV     1
 ASSI {  559}
   (( segid "SF1 " and resid 75   and name HG1 ))
   (( segid "SF1 " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak   559 spectrum    1 weight  0.10000E+01 volume  0.66357E-02 ppm1      8.637 ppm2      2.374 CV     1
 OR {  559}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HN  ))
 OR {  559}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 75   and name HN  ))
 ASSI {  561}
   (( segid "SF1 " and resid 88   and name HB2 ))
   (( segid "SF1 " and resid 89   and name HN  ))
      2.800     1.000     1.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.20855E-02 ppm1      8.628 ppm2      1.358 CV     1
 ASSI {  563}
   (  segid "SF1 " and resid 90   and name HG1%)
   (( segid "SF1 " and resid 89   and name HN  ))
      3.800     1.800     1.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.14651E-02 ppm1      8.625 ppm2      0.933 CV     1
 OR {  563}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 89   and name HN  ))
 ASSI {  565}
   (  segid "SF1 " and resid 88   and name HD2%)
   (( segid "SF1 " and resid 89   and name HN  ))
      2.900     2.900     3.100 peak   565 spectrum    1 weight  0.10000E+01 volume  0.93936E-03 ppm1      8.627 ppm2      0.586 CV     1
 ASSI {  568}
   (( segid "SF1 " and resid 69   and name HN  ))
   (( segid "SF1 " and resid 67   and name HN  ))
      3.300     3.300     2.700 peak   568 spectrum    1 weight  0.10000E+01 volume  0.41452E-03 ppm1      9.334 ppm2      9.497 CV     1
 ASSI {  569}
   (( segid "SF1 " and resid 66   and name HA  ))
   (( segid "SF1 " and resid 67   and name HN  ))
      3.300     1.300     1.300 peak   569 spectrum    1 weight  0.10000E+01 volume  0.11591E-02 ppm1      9.336 ppm2      4.684 CV     1
 ASSI {  571}
   (( segid "SF1 " and resid 67   and name HB1 ))
   (( segid "SF1 " and resid 67   and name HN  ))
      3.500     1.500     1.500 peak   571 spectrum    1 weight  0.10000E+01 volume  0.24432E-02 ppm1      9.338 ppm2      2.407 CV     1
 ASSI {  573}
   (( segid "SF1 " and resid 67   and name HG2 ))
   (( segid "SF1 " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.13875E-02 ppm1      9.338 ppm2      1.879 CV     1
 ASSI {  575}
   (( segid "SF1 " and resid 54   and name HG1 ))
   (( segid "SF1 " and resid 55   and name HN  ))
      4.200     2.200     1.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.11720E-02 ppm1      7.648 ppm2      4.054 CV     1
 ASSI {  576}
   (( segid "SF1 " and resid 51   and name HA  ))
   (( segid "SF1 " and resid 55   and name HN  ))
      4.200     2.200     1.800 peak   576 spectrum    1 weight  0.10000E+01 volume  0.34170E-03 ppm1      7.651 ppm2      3.737 CV     1
 ASSI {  577}
   (( segid "SF1 " and resid 54   and name HB  ))
   (( segid "SF1 " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.29646E-02 ppm1      7.648 ppm2      3.542 CV     1
 ASSI {  578}
   (( segid "SF1 " and resid 55   and name HA  ))
   (( segid "SF1 " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak   578 spectrum    1 weight  0.10000E+01 volume  0.30766E-02 ppm1      7.649 ppm2      3.394 CV     1
 ASSI {  579}
   (( segid "SF1 " and resid 55   and name HB  ))
   (( segid "SF1 " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak   579 spectrum    1 weight  0.10000E+01 volume  0.38350E-02 ppm1      7.648 ppm2      1.544 CV     1
 ASSI {  582}
   (  segid "SF1 " and resid 97   and name HG2%)
   (( segid "SF1 " and resid 55   and name HN  ))
      2.900     2.900     3.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.79718E-03 ppm1      7.652 ppm2      0.655 CV     1
 ASSI {  584}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 55   and name HN  ))
      3.700     1.700     1.700 peak   584 spectrum    1 weight  0.10000E+01 volume  0.12798E-02 ppm1      7.649 ppm2     -0.132 CV     1
 ASSI {  587}
   (( segid "SF1 " and resid 50   and name HZ  ))
   (( segid "SF1 " and resid 84   and name HN  ))
      4.000     2.000     2.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.54723E-03 ppm1      9.233 ppm2      7.666 CV     1
 ASSI {  588}
   (  segid "SF1 " and resid 84   and name HD% )
   (( segid "SF1 " and resid 84   and name HN  ))
      4.400     2.400     1.600 peak   588 spectrum    1 weight  0.10000E+01 volume  0.11548E-02 ppm1      9.235 ppm2      7.333 CV     1
 ASSI {  589}
   (  segid "SF1 " and resid 50   and name HE% )
   (( segid "SF1 " and resid 84   and name HN  ))
      3.500     1.500     1.500 peak   589 spectrum    1 weight  0.10000E+01 volume  0.99969E-03 ppm1      9.235 ppm2      7.237 CV     1
 ASSI {  591}
   (( segid "SF1 " and resid 84   and name HA  ))
   (( segid "SF1 " and resid 84   and name HN  ))
      3.400     1.400     1.400 peak   591 spectrum    1 weight  0.10000E+01 volume  0.85319E-03 ppm1      9.238 ppm2      4.737 CV     1
 ASSI {  592}
   (( segid "SF1 " and resid 80   and name HA  ))
   (( segid "SF1 " and resid 84   and name HN  ))
      4.200     2.200     1.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.32963E-03 ppm1      9.233 ppm2      3.937 CV     1
 ASSI {  593}
   (( segid "SF1 " and resid 84   and name HB1 ))
   (( segid "SF1 " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.16977E-02 ppm1      9.235 ppm2      3.677 CV     1
 ASSI {  594}
   (( segid "SF1 " and resid 84   and name HB2 ))
   (( segid "SF1 " and resid 84   and name HN  ))
      2.900     1.100     1.100 peak   594 spectrum    1 weight  0.10000E+01 volume  0.16201E-02 ppm1      9.236 ppm2      3.550 CV     1
 ASSI {  595}
   (( segid "SF1 " and resid 83   and name HB1 ))
   (( segid "SF1 " and resid 84   and name HN  ))
      2.800     0.900     0.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.15771E-02 ppm1      9.236 ppm2      1.614 CV     1
 ASSI {  596}
   (  segid "SF1 " and resid 39   and name HD% )
   (( segid "SF1 " and resid 93   and name HN  ))
      4.200     2.300     1.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.33265E-03 ppm1      8.770 ppm2      6.844 CV     1
 ASSI {  597}
   (( segid "SF1 " and resid 93   and name HA  ))
   (( segid "SF1 " and resid 93   and name HN  ))
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.10000E+01 volume  0.11936E-02 ppm1      8.777 ppm2      4.536 CV     1
 ASSI {  599}
   (( segid "SF1 " and resid 40   and name HA2 ))
   (( segid "SF1 " and resid 93   and name HN  ))
      4.400     2.400     1.600 peak   599 spectrum    1 weight  0.10000E+01 volume  0.72390E-03 ppm1      8.776 ppm2      3.211 CV     1
 ASSI {  601}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (( segid "SF1 " and resid 93   and name HN  ))
      5.300     3.500     0.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.48260E-03 ppm1      8.770 ppm2      2.358 CV     1
 ASSI {  603}
   (( segid "SF1 " and resid 93   and name HB1 ))
   (( segid "SF1 " and resid 93   and name HN  ))
      3.500     1.500     1.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.16374E-02 ppm1      8.775 ppm2      1.749 CV     1
 ASSI {  604}
   (( segid "SF1 " and resid 93   and name HB2 ))
   (( segid "SF1 " and resid 93   and name HN  ))
      2.600     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.26888E-02 ppm1      8.777 ppm2      1.481 CV     1
 OR {  604}
   (( segid "SF1 " and resid 93   and name HG2 ))
   (( segid "SF1 " and resid 93   and name HN  ))
 ASSI {  605}
   (( segid "SF1 " and resid 92   and name HB1 ))
   (( segid "SF1 " and resid 93   and name HN  ))
      3.800     1.800     1.800 peak   605 spectrum    1 weight  0.10000E+01 volume  0.87472E-03 ppm1      8.766 ppm2      0.888 CV     1
 ASSI {  606}
   (  segid "SF1 " and resid 41   and name HD2%)
   (( segid "SF1 " and resid 93   and name HN  ))
      4.200     2.200     1.800 peak   606 spectrum    1 weight  0.10000E+01 volume  0.77991E-03 ppm1      8.775 ppm2      0.689 CV     1
 ASSI {  610}
   (  segid "SF1 " and resid 50   and name HD% )
   (( segid "SF1 " and resid 50   and name HN  ))
      4.900     3.000     1.100 peak   610 spectrum    1 weight  0.10000E+01 volume  0.56449E-03 ppm1      8.570 ppm2      7.613 CV     1
 ASSI {  614}
   (( segid "SF1 " and resid 49   and name HA2 ))
   (( segid "SF1 " and resid 50   and name HN  ))
      4.300     2.400     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.54291E-03 ppm1      8.566 ppm2      3.536 CV     1
 ASSI {  615}
   (( segid "SF1 " and resid 50   and name HB1 ))
   (( segid "SF1 " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.22363E-02 ppm1      8.568 ppm2      3.341 CV     1
 ASSI {  616}
   (( segid "SF1 " and resid 50   and name HB2 ))
   (( segid "SF1 " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.31628E-02 ppm1      8.570 ppm2      2.932 CV     1
 ASSI {  617}
   (( segid "SF1 " and resid 48   and name HN  ))
   (( segid "SF1 " and resid 50   and name HN  ))
      4.200     2.300     1.800 peak   617 spectrum    1 weight  0.10000E+01 volume  0.40288E-03 ppm1      8.575 ppm2      7.145 CV     1
 ASSI {  619}
   (( segid "SF1 " and resid 32   and name HA  ))
   (( segid "SF1 " and resid 32   and name HN  ))
      2.900     1.100     1.100 peak   619 spectrum    1 weight  0.10000E+01 volume  0.24173E-02 ppm1      8.647 ppm2      4.726 CV     1
 ASSI {  620}
   (( segid "SF1 " and resid 27   and name HN  ))
   (( segid "SF1 " and resid 32   and name HN  ))
      3.300     1.400     1.400 peak   620 spectrum    1 weight  0.10000E+01 volume  0.90920E-03 ppm1      8.648 ppm2      9.649 CV     1
 ASSI {  624}
   (( segid "SF1 " and resid 31   and name HA2 ))
   (( segid "SF1 " and resid 32   and name HN  ))
      3.200     1.300     1.300 peak   624 spectrum    1 weight  0.10000E+01 volume  0.11677E-02 ppm1      8.649 ppm2      3.753 CV     1
 ASSI {  625}
   (( segid "SF1 " and resid 27   and name HB1 ))
   (( segid "SF1 " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak   625 spectrum    1 weight  0.10000E+01 volume  0.19821E-02 ppm1      8.652 ppm2      3.275 CV     1
 ASSI {  626}
   (( segid "SF1 " and resid 32   and name HB2 ))
   (( segid "SF1 " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.59034E-02 ppm1      8.652 ppm2      2.936 CV     1
 OR {  626}
   (( segid "SF1 " and resid 32   and name HB1 ))
   (( segid "SF1 " and resid 32   and name HN  ))
 ASSI {  627}
   (( segid "SF1 " and resid 27   and name HB2 ))
   (( segid "SF1 " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   627 spectrum    1 weight  0.10000E+01 volume  0.19003E-02 ppm1      8.649 ppm2      2.796 CV     1
 ASSI {  628}
   (( segid "SF1 " and resid 26   and name HB1 ))
   (( segid "SF1 " and resid 32   and name HN  ))
      4.300     2.300     1.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.27749E-03 ppm1      8.642 ppm2      1.595 CV     1
 ASSI {  631}
   (( segid "SF1 " and resid 28   and name HA  ))
   (( segid "SF1 " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15685E-02 ppm1      8.814 ppm2      4.466 CV     1
 ASSI {  632}
   (( segid "SF1 " and resid 27   and name HA  ))
   (( segid "SF1 " and resid 29   and name HN  ))
      4.200     2.200     1.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.50414E-03 ppm1      8.815 ppm2      4.251 CV     1
 ASSI {  633}
   (( segid "SF1 " and resid 28   and name HD2 ))
   (( segid "SF1 " and resid 29   and name HN  ))
      3.400     1.500     1.500 peak   633 spectrum    1 weight  0.10000E+01 volume  0.47398E-03 ppm1      8.819 ppm2      4.006 CV     1
 ASSI {  635}
   (( segid "SF1 " and resid 27   and name HB1 ))
   (( segid "SF1 " and resid 29   and name HN  ))
      3.800     1.800     1.800 peak   635 spectrum    1 weight  0.10000E+01 volume  0.37875E-03 ppm1      8.815 ppm2      3.275 CV     1
 ASSI {  637}
   (( segid "SF1 " and resid 28   and name HG1 ))
   (( segid "SF1 " and resid 29   and name HN  ))
      4.800     2.900     1.200 peak   637 spectrum    1 weight  0.10000E+01 volume  0.46537E-03 ppm1      8.817 ppm2      2.266 CV     1
 ASSI {  638}
   (( segid "SF1 " and resid 28   and name HG2 ))
   (( segid "SF1 " and resid 29   and name HN  ))
      3.000     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.16201E-02 ppm1      8.816 ppm2      1.887 CV     1
 OR {  638}
   (( segid "SF1 " and resid 28   and name HB2 ))
   (( segid "SF1 " and resid 29   and name HN  ))
 ASSI {  640}
   (  segid "SF1 " and resid 29   and name HG2%)
   (( segid "SF1 " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   640 spectrum    1 weight  0.10000E+01 volume  0.17580E-02 ppm1      8.818 ppm2      0.880 CV     1
 ASSI {  641}
   (( segid "SF1 " and resid 47   and name HN  ))
   (( segid "SF1 " and resid 46   and name HN  ))
      3.500     1.500     1.500 peak   641 spectrum    1 weight  0.10000E+01 volume  0.59466E-03 ppm1      9.477 ppm2      9.941 CV     1
 ASSI {  642}
   (( segid "SF1 " and resid 45   and name HN  ))
   (( segid "SF1 " and resid 46   and name HN  ))
      3.500     1.600     1.600 peak   642 spectrum    1 weight  0.10000E+01 volume  0.57307E-03 ppm1      9.489 ppm2      9.191 CV     1
 ASSI {  645}
   (( segid "SF1 " and resid 46   and name HB1 ))
   (( segid "SF1 " and resid 46   and name HN  ))
      2.600     0.900     0.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.39599E-02 ppm1      9.480 ppm2      4.341 CV     1
 OR {  645}
   (( segid "SF1 " and resid 46   and name HA  ))
   (( segid "SF1 " and resid 46   and name HN  ))
 OR {  645}
   (( segid "SF1 " and resid 46   and name HB2 ))
   (( segid "SF1 " and resid 46   and name HN  ))
 ASSI {  647}
   (( segid "SF1 " and resid 45   and name HB2 ))
   (( segid "SF1 " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.67652E-03 ppm1      9.481 ppm2      2.112 CV     1
 OR {  647}
   (( segid "SF1 " and resid 45   and name HB1 ))
   (( segid "SF1 " and resid 46   and name HN  ))
 ASSI {  650}
   (( segid "SF1 " and resid 64   and name HA  ))
   (( segid "SF1 " and resid 64   and name HN  ))
      3.100     1.200     1.200 peak   650 spectrum    1 weight  0.10000E+01 volume  0.17753E-02 ppm1      9.325 ppm2      4.310 CV     1
 ASSI {  651}
   (( segid "SF1 " and resid 63   and name HB1 ))
   (( segid "SF1 " and resid 64   and name HN  ))
      3.600     1.600     1.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.78854E-03 ppm1      9.323 ppm2      2.704 CV     1
 ASSI {  652}
   (( segid "SF1 " and resid 63   and name HB2 ))
   (( segid "SF1 " and resid 64   and name HN  ))
      4.400     2.500     1.600 peak   652 spectrum    1 weight  0.10000E+01 volume  0.42270E-03 ppm1      9.323 ppm2      2.405 CV     1
 ASSI {  653}
   (( segid "SF1 " and resid 65   and name HG2 ))
   (( segid "SF1 " and resid 64   and name HN  ))
      3.200     3.200     2.800 peak   653 spectrum    1 weight  0.10000E+01 volume  0.49122E-03 ppm1      9.338 ppm2      2.173 CV     1
 OR {  653}
   (( segid "SF1 " and resid 65   and name HB1 ))
   (( segid "SF1 " and resid 64   and name HN  ))
 ASSI {  655}
   (  segid "SF1 " and resid 64   and name HG2%)
   (( segid "SF1 " and resid 64   and name HN  ))
      3.000     1.100     1.100 peak   655 spectrum    1 weight  0.10000E+01 volume  0.29559E-02 ppm1      9.325 ppm2      1.263 CV     1
 ASSI {  656}
   (( segid "SF1 " and resid 32   and name HN  ))
   (( segid "SF1 " and resid 33   and name HN  ))
      4.600     2.600     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.40547E-03 ppm1      8.903 ppm2      8.669 CV     1
 ASSI {  657}
   (( segid "SF1 " and resid 34   and name HN  ))
   (( segid "SF1 " and resid 33   and name HN  ))
      5.200     3.400     0.800 peak   657 spectrum    1 weight  0.10000E+01 volume  0.28439E-03 ppm1      8.892 ppm2      7.789 CV     1
 ASSI {  658}
   (( segid "SF1 " and resid 32   and name HA  ))
   (( segid "SF1 " and resid 33   and name HN  ))
      2.300     0.700     0.700 peak   658 spectrum    1 weight  0.10000E+01 volume  0.77991E-02 ppm1      8.899 ppm2      4.730 CV     1
 ASSI {  660}
   (( segid "SF1 " and resid 32   and name HB1 ))
   (( segid "SF1 " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.19390E-02 ppm1      8.900 ppm2      2.934 CV     1
 OR {  660}
   (( segid "SF1 " and resid 32   and name HB2 ))
   (( segid "SF1 " and resid 33   and name HN  ))
 ASSI {  661}
   (( segid "SF1 " and resid 44   and name HB2 ))
   (( segid "SF1 " and resid 33   and name HN  ))
      3.700     1.800     1.800 peak   661 spectrum    1 weight  0.10000E+01 volume  0.21157E-03 ppm1      8.903 ppm2      2.565 CV     1
 ASSI {  663}
   (( segid "SF1 " and resid 33   and name HG2 ))
   (( segid "SF1 " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.38737E-02 ppm1      8.899 ppm2      1.501 CV     1
 OR {  663}
   (( segid "SF1 " and resid 33   and name HG1 ))
   (( segid "SF1 " and resid 33   and name HN  ))
 ASSI {  664}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.72390E-03 ppm1      8.898 ppm2      0.720 CV     1
 ASSI {  666}
   (( segid "SF1 " and resid 84   and name HN  ))
   (( segid "SF1 " and resid 83   and name HN  ))
      3.300     1.300     1.300 peak   666 spectrum    1 weight  0.10000E+01 volume  0.76269E-03 ppm1      8.691 ppm2      9.239 CV     1
 ASSI {  668}
   (( segid "SF1 " and resid 50   and name HZ  ))
   (( segid "SF1 " and resid 83   and name HN  ))
      4.600     2.600     1.400 peak   668 spectrum    1 weight  0.10000E+01 volume  0.38393E-03 ppm1      8.682 ppm2      7.684 CV     1
 ASSI {  670}
   (( segid "SF1 " and resid 83   and name HA  ))
   (( segid "SF1 " and resid 83   and name HN  ))
      3.000     1.100     1.100 peak   670 spectrum    1 weight  0.10000E+01 volume  0.13487E-02 ppm1      8.688 ppm2      3.739 CV     1
 ASSI {  671}
   (( segid "SF1 " and resid 82   and name HB1 ))
   (( segid "SF1 " and resid 83   and name HN  ))
      4.000     2.000     2.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.89625E-03 ppm1      8.687 ppm2      3.022 CV     1
 ASSI {  673}
   (( segid "SF1 " and resid 83   and name HB1 ))
   (( segid "SF1 " and resid 83   and name HN  ))
      2.800     1.000     1.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.19003E-02 ppm1      8.688 ppm2      1.627 CV     1
 ASSI {  674}
   (( segid "SF1 " and resid 83   and name HB2 ))
   (( segid "SF1 " and resid 83   and name HN  ))
      2.600     0.900     0.900 peak   674 spectrum    1 weight  0.10000E+01 volume  0.23268E-02 ppm1      8.691 ppm2      1.550 CV     1
 ASSI {  677}
   (( segid "SF1 " and resid 82   and name HA  ))
   (( segid "SF1 " and resid 83   and name HN  ))
      3.500     1.600     1.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.10557E-02 ppm1      8.688 ppm2      4.013 CV     1
 ASSI {  678}
   (( segid "SF1 " and resid 83   and name HD1 ))
   (( segid "SF1 " and resid 83   and name HN  ))
      5.700     4.100     0.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.21114E-03 ppm1      8.682 ppm2      2.409 CV     1
 ASSI {  679}
   (( segid "SF1 " and resid 83   and name HG1 ))
   (( segid "SF1 " and resid 83   and name HN  ))
      5.300     3.500     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.29861E-03 ppm1      8.689 ppm2      1.202 CV     1
 ASSI {  683}
   (( segid "SF1 " and resid 105  and name HA1 ))
   (( segid "SF1 " and resid 104  and name HN  ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.80576E-03 ppm1      8.845 ppm2      3.813 CV     1
 ASSI {  684}
   (( segid "SF1 " and resid 103  and name HB2 ))
   (( segid "SF1 " and resid 104  and name HN  ))
      4.100     2.100     1.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.47829E-03 ppm1      8.831 ppm2      1.662 CV     1
 ASSI {  690}
   (( segid "SF1 " and resid 12   and name HN  ))
   (( segid "SF1 " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.32360E-02 ppm1      7.859 ppm2      8.345 CV     1
 ASSI {  692}
   (( segid "SF1 " and resid 9    and name HA  ))
   (( segid "SF1 " and resid 11   and name HN  ))
      4.600     2.700     1.400 peak   692 spectrum    1 weight  0.10000E+01 volume  0.38694E-03 ppm1      7.861 ppm2      4.488 CV     1
 ASSI {  693}
   (( segid "SF1 " and resid 11   and name HA  ))
   (( segid "SF1 " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.30162E-02 ppm1      7.861 ppm2      4.122 CV     1
 ASSI {  694}
   (( segid "SF1 " and resid 10   and name HA2 ))
   (( segid "SF1 " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.78423E-02 ppm1      7.860 ppm2      3.975 CV     1
 OR {  694}
   (( segid "SF1 " and resid 10   and name HA1 ))
   (( segid "SF1 " and resid 11   and name HN  ))
 ASSI {  695}
   (( segid "SF1 " and resid 11   and name HB  ))
   (( segid "SF1 " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.39987E-02 ppm1      7.861 ppm2      2.040 CV     1
 ASSI {  697}
   (  segid "SF1 " and resid 11   and name HG1%)
   (( segid "SF1 " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   697 spectrum    1 weight  0.10000E+01 volume  0.47398E-02 ppm1      7.860 ppm2      0.873 CV     1
 OR {  697}
   (  segid "SF1 " and resid 11   and name HG2%)
   (( segid "SF1 " and resid 11   and name HN  ))
 ASSI {  701}
   (( segid "SF1 " and resid 12   and name HB1 ))
   (( segid "SF1 " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak   701 spectrum    1 weight  0.10000E+01 volume  0.27319E-02 ppm1      8.333 ppm2      2.749 CV     1
 ASSI {  702}
   (( segid "SF1 " and resid 12   and name HB2 ))
   (( segid "SF1 " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.36411E-02 ppm1      8.332 ppm2      2.599 CV     1
 ASSI {  704}
   (  segid "SF1 " and resid 11   and name HG2%)
   (( segid "SF1 " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak   704 spectrum    1 weight  0.10000E+01 volume  0.29171E-02 ppm1      8.332 ppm2      0.869 CV     1
 OR {  704}
   (  segid "SF1 " and resid 11   and name HG1%)
   (( segid "SF1 " and resid 12   and name HN  ))
 ASSI {  705}
   (( segid "SF1 " and resid 14   and name HN  ))
   (( segid "SF1 " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak   705 spectrum    1 weight  0.10000E+01 volume  0.25810E-02 ppm1      8.257 ppm2      8.472 CV     1
 ASSI {  706}
   (( segid "SF1 " and resid 12   and name HA  ))
   (( segid "SF1 " and resid 13   and name HN  ))
      2.200     0.600     0.600 peak   706 spectrum    1 weight  0.10000E+01 volume  0.12453E-01 ppm1      8.258 ppm2      4.636 CV     1
 ASSI {  707}
   (( segid "SF1 " and resid 13   and name HA  ))
   (( segid "SF1 " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.39513E-02 ppm1      8.258 ppm2      4.305 CV     1
 ASSI {  708}
   (( segid "SF1 " and resid 11   and name HA  ))
   (( segid "SF1 " and resid 13   and name HN  ))
      3.700     1.700     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.10169E-02 ppm1      8.263 ppm2      4.117 CV     1
 ASSI {  710}
   (( segid "SF1 " and resid 12   and name HB1 ))
   (( segid "SF1 " and resid 13   and name HN  ))
      4.300     2.300     1.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.97380E-03 ppm1      8.257 ppm2      2.743 CV     1
 ASSI {  711}
   (( segid "SF1 " and resid 12   and name HB2 ))
   (( segid "SF1 " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak   711 spectrum    1 weight  0.10000E+01 volume  0.12798E-02 ppm1      8.259 ppm2      2.601 CV     1
 ASSI {  712}
   (( segid "SF1 " and resid 11   and name HB  ))
   (( segid "SF1 " and resid 13   and name HN  ))
      4.600     2.600     1.400 peak   712 spectrum    1 weight  0.10000E+01 volume  0.25509E-03 ppm1      8.264 ppm2      2.037 CV     1
 ASSI {  713}
   (( segid "SF1 " and resid 13   and name HB1 ))
   (( segid "SF1 " and resid 13   and name HN  ))
      2.300     0.700     0.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.11031E-01 ppm1      8.256 ppm2      1.626 CV     1
 OR {  713}
   (( segid "SF1 " and resid 13   and name HB2 ))
   (( segid "SF1 " and resid 13   and name HN  ))
 ASSI {  716}
   (( segid "SF1 " and resid 17   and name HN  ))
   (( segid "SF1 " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.12668E-02 ppm1      8.435 ppm2      8.315 CV     1
 ASSI {  717}
   (( segid "SF1 " and resid 15   and name HN  ))
   (( segid "SF1 " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   717 spectrum    1 weight  0.10000E+01 volume  0.22320E-02 ppm1      8.436 ppm2      7.912 CV     1
 ASSI {  720}
   (( segid "SF1 " and resid 14   and name HA2 ))
   (( segid "SF1 " and resid 16   and name HN  ))
      5.000     3.100     1.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.25638E-03 ppm1      8.433 ppm2      3.982 CV     1
 OR {  720}
   (( segid "SF1 " and resid 14   and name HA1 ))
   (( segid "SF1 " and resid 16   and name HN  ))
 ASSI {  721}
   (( segid "SF1 " and resid 16   and name HG2 ))
   (( segid "SF1 " and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   721 spectrum    1 weight  0.10000E+01 volume  0.19261E-02 ppm1      8.436 ppm2      2.269 CV     1
 OR {  721}
   (( segid "SF1 " and resid 16   and name HG1 ))
   (( segid "SF1 " and resid 16   and name HN  ))
 ASSI {  722}
   (( segid "SF1 " and resid 16   and name HB2 ))
   (( segid "SF1 " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   722 spectrum    1 weight  0.10000E+01 volume  0.38177E-02 ppm1      8.437 ppm2      1.946 CV     1
 ASSI {  723}
   (( segid "SF1 " and resid 16   and name HB1 ))
   (( segid "SF1 " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak   723 spectrum    1 weight  0.10000E+01 volume  0.19175E-02 ppm1      8.436 ppm2      2.043 CV     1
 ASSI {  724}
   (  segid "SF1 " and resid 15   and name HG2%)
   (( segid "SF1 " and resid 16   and name HN  ))
      4.300     2.300     1.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.50414E-03 ppm1      8.438 ppm2      1.173 CV     1
 ASSI {  726}
   (( segid "SF1 " and resid 18   and name HN  ))
   (( segid "SF1 " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak   726 spectrum    1 weight  0.10000E+01 volume  0.29774E-02 ppm1      8.307 ppm2      7.992 CV     1
 ASSI {  729}
   (( segid "SF1 " and resid 16   and name HA  ))
   (( segid "SF1 " and resid 17   and name HN  ))
      2.300     0.700     0.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.81871E-02 ppm1      8.308 ppm2      4.249 CV     1
 ASSI {  730}
   (( segid "SF1 " and resid 17   and name HB2 ))
   (( segid "SF1 " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.61187E-02 ppm1      8.308 ppm2      2.701 CV     1
 ASSI {  732}
   (( segid "SF1 " and resid 16   and name HG1 ))
   (( segid "SF1 " and resid 17   and name HN  ))
      4.200     2.200     1.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.82729E-03 ppm1      8.307 ppm2      2.255 CV     1
 OR {  732}
   (( segid "SF1 " and resid 16   and name HG2 ))
   (( segid "SF1 " and resid 17   and name HN  ))
 ASSI {  733}
   (( segid "SF1 " and resid 16   and name HB1 ))
   (( segid "SF1 " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak   733 spectrum    1 weight  0.10000E+01 volume  0.28827E-02 ppm1      8.302 ppm2      2.037 CV     1
 ASSI {  734}
   (( segid "SF1 " and resid 16   and name HB2 ))
   (( segid "SF1 " and resid 17   and name HN  ))
      3.700     1.700     1.700 peak   734 spectrum    1 weight  0.10000E+01 volume  0.17580E-02 ppm1      8.305 ppm2      1.927 CV     1
 ASSI {  738}
   (( segid "SF1 " and resid 17   and name HA  ))
   (( segid "SF1 " and resid 18   and name HN  ))
      2.200     0.600     0.600 peak   738 spectrum    1 weight  0.10000E+01 volume  0.11461E-01 ppm1      7.993 ppm2      4.639 CV     1
 ASSI {  740}
   (( segid "SF1 " and resid 17   and name HB1 ))
   (( segid "SF1 " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.17710E-02 ppm1      7.994 ppm2      2.772 CV     1
 ASSI {  741}
   (( segid "SF1 " and resid 17   and name HB2 ))
   (( segid "SF1 " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.96521E-03 ppm1      7.993 ppm2      2.693 CV     1
 ASSI {  746}
   (( segid "SF1 " and resid 18   and name HB2 ))
   (( segid "SF1 " and resid 18   and name HN  ))
      3.300     1.400     1.400 peak   746 spectrum    1 weight  0.10000E+01 volume  0.16029E-02 ppm1      7.993 ppm2      1.318 CV     1
 OR {  746}
   (( segid "SF1 " and resid 18   and name HB1 ))
   (( segid "SF1 " and resid 18   and name HN  ))
 ASSI {  748}
   (  segid "SF1 " and resid 18   and name HD1%)
   (( segid "SF1 " and resid 18   and name HN  ))
      3.600     1.700     1.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.15641E-02 ppm1      7.991 ppm2      0.812 CV     1
 ASSI {  749}
   (  segid "SF1 " and resid 19   and name HD% )
   (( segid "SF1 " and resid 19   and name HN  ))
      3.300     1.300     1.300 peak   749 spectrum    1 weight  0.10000E+01 volume  0.19218E-02 ppm1      7.956 ppm2      7.001 CV     1
 ASSI {  751}
   (( segid "SF1 " and resid 19   and name HA  ))
   (( segid "SF1 " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   751 spectrum    1 weight  0.10000E+01 volume  0.52570E-02 ppm1      7.955 ppm2      4.471 CV     1
 ASSI {  752}
   (( segid "SF1 " and resid 18   and name HA  ))
   (( segid "SF1 " and resid 19   and name HN  ))
      2.100     0.600     0.600 peak   752 spectrum    1 weight  0.10000E+01 volume  0.15555E-01 ppm1      7.956 ppm2      4.193 CV     1
 ASSI {  754}
   (( segid "SF1 " and resid 19   and name HB1 ))
   (( segid "SF1 " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.46537E-02 ppm1      7.955 ppm2      2.953 CV     1
 ASSI {  755}
   (( segid "SF1 " and resid 19   and name HB2 ))
   (( segid "SF1 " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.63340E-02 ppm1      7.954 ppm2      2.847 CV     1
 ASSI {  757}
   (( segid "SF1 " and resid 18   and name HB2 ))
   (( segid "SF1 " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak   757 spectrum    1 weight  0.10000E+01 volume  0.15038E-02 ppm1      7.954 ppm2      1.318 CV     1
 OR {  757}
   (( segid "SF1 " and resid 18   and name HB1 ))
   (( segid "SF1 " and resid 19   and name HN  ))
 ASSI {  758}
   (  segid "SF1 " and resid 18   and name HD1%)
   (( segid "SF1 " and resid 19   and name HN  ))
      2.700     2.700     3.300 peak   758 spectrum    1 weight  0.10000E+01 volume  0.13616E-02 ppm1      7.955 ppm2      0.796 CV     1
 ASSI {  760}
   (( segid "SF1 " and resid 21   and name HN  ))
   (( segid "SF1 " and resid 20   and name HN  ))
      3.300     1.300     1.300 peak   760 spectrum    1 weight  0.10000E+01 volume  0.29516E-02 ppm1      7.858 ppm2      8.136 CV     1
 ASSI {  761}
   (  segid "SF1 " and resid 20   and name HD% )
   (( segid "SF1 " and resid 20   and name HN  ))
      3.400     1.400     1.400 peak   761 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      7.859 ppm2      7.186 CV     1
 ASSI {  762}
   (  segid "SF1 " and resid 19   and name HD% )
   (( segid "SF1 " and resid 20   and name HN  ))
      4.400     2.400     1.600 peak   762 spectrum    1 weight  0.10000E+01 volume  0.77991E-03 ppm1      7.867 ppm2      7.000 CV     1
 ASSI {  764}
   (( segid "SF1 " and resid 19   and name HA  ))
   (( segid "SF1 " and resid 20   and name HN  ))
      2.200     0.600     0.600 peak   764 spectrum    1 weight  0.10000E+01 volume  0.11548E-01 ppm1      7.859 ppm2      4.473 CV     1
 ASSI {  765}
   (( segid "SF1 " and resid 21   and name HA  ))
   (( segid "SF1 " and resid 20   and name HN  ))
      3.200     3.200     2.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.53433E-03 ppm1      7.860 ppm2      4.265 CV     1
 ASSI {  766}
   (( segid "SF1 " and resid 18   and name HA  ))
   (( segid "SF1 " and resid 20   and name HN  ))
      4.400     2.400     1.600 peak   766 spectrum    1 weight  0.10000E+01 volume  0.57739E-03 ppm1      7.858 ppm2      4.187 CV     1
 ASSI {  768}
   (( segid "SF1 " and resid 19   and name HB2 ))
   (( segid "SF1 " and resid 20   and name HN  ))
      3.800     1.800     1.800 peak   768 spectrum    1 weight  0.10000E+01 volume  0.21588E-02 ppm1      7.857 ppm2      2.842 CV     1
 ASSI {  774}
   (  segid "SF1 " and resid 20   and name HD% )
   (( segid "SF1 " and resid 21   and name HN  ))
      4.000     2.000     2.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.71958E-03 ppm1      8.132 ppm2      7.178 CV     1
 ASSI {  776}
   (( segid "SF1 " and resid 20   and name HA  ))
   (( segid "SF1 " and resid 21   and name HN  ))
      2.200     0.600     0.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.98674E-02 ppm1      8.129 ppm2      4.544 CV     1
 ASSI {  777}
   (( segid "SF1 " and resid 21   and name HA  ))
   (( segid "SF1 " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   777 spectrum    1 weight  0.10000E+01 volume  0.44813E-02 ppm1      8.130 ppm2      4.287 CV     1
 ASSI {  780}
   (( segid "SF1 " and resid 21   and name HG1 ))
   (( segid "SF1 " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   780 spectrum    1 weight  0.10000E+01 volume  0.29430E-02 ppm1      8.129 ppm2      2.270 CV     1
 OR {  780}
   (( segid "SF1 " and resid 21   and name HG2 ))
   (( segid "SF1 " and resid 21   and name HN  ))
 ASSI {  781}
   (( segid "SF1 " and resid 21   and name HB1 ))
   (( segid "SF1 " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak   781 spectrum    1 weight  0.10000E+01 volume  0.31671E-02 ppm1      8.129 ppm2      2.060 CV     1
 ASSI {  782}
   (( segid "SF1 " and resid 21   and name HB2 ))
   (( segid "SF1 " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   782 spectrum    1 weight  0.10000E+01 volume  0.49553E-02 ppm1      8.129 ppm2      1.919 CV     1
 ASSI {  786}
   (( segid "SF1 " and resid 22   and name HA  ))
   (( segid "SF1 " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.58602E-02 ppm1      8.384 ppm2      4.374 CV     1
 ASSI {  787}
   (( segid "SF1 " and resid 22   and name HB1 ))
   (( segid "SF1 " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   787 spectrum    1 weight  0.10000E+01 volume  0.16331E-02 ppm1      8.386 ppm2      3.857 CV     1
 OR {  787}
   (( segid "SF1 " and resid 22   and name HB2 ))
   (( segid "SF1 " and resid 23   and name HN  ))
 ASSI {  789}
   (( segid "SF1 " and resid 23   and name HB2 ))
   (( segid "SF1 " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.32576E-02 ppm1      8.385 ppm2      2.699 CV     1
 ASSI {  791}
   (( segid "SF1 " and resid 23   and name HN  ))
   (( segid "SF1 " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak   791 spectrum    1 weight  0.10000E+01 volume  0.19950E-02 ppm1      8.187 ppm2      8.392 CV     1
 ASSI {  792}
   (( segid "SF1 " and resid 25   and name HN  ))
   (( segid "SF1 " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.59892E-02 ppm1      8.186 ppm2      8.016 CV     1
 ASSI {  795}
   (( segid "SF1 " and resid 22   and name HA  ))
   (( segid "SF1 " and resid 24   and name HN  ))
      4.300     2.300     1.700 peak   795 spectrum    1 weight  0.10000E+01 volume  0.46537E-03 ppm1      8.186 ppm2      4.369 CV     1
 ASSI {  796}
   (( segid "SF1 " and resid 25   and name HA  ))
   (( segid "SF1 " and resid 24   and name HN  ))
      4.700     2.700     1.300 peak   796 spectrum    1 weight  0.10000E+01 volume  0.35075E-03 ppm1      8.184 ppm2      4.263 CV     1
 ASSI {  797}
   (( segid "SF1 " and resid 23   and name HB1 ))
   (( segid "SF1 " and resid 24   and name HN  ))
      4.100     2.100     1.900 peak   797 spectrum    1 weight  0.10000E+01 volume  0.10083E-02 ppm1      8.188 ppm2      2.800 CV     1
 ASSI {  798}
   (( segid "SF1 " and resid 24   and name HB2 ))
   (( segid "SF1 " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   798 spectrum    1 weight  0.10000E+01 volume  0.53859E-02 ppm1      8.186 ppm2      2.580 CV     1
 ASSI {  801}
   (( segid "SF1 " and resid 22   and name HB1 ))
   (( segid "SF1 " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.81007E-03 ppm1      8.184 ppm2      3.855 CV     1
 OR {  801}
   (( segid "SF1 " and resid 22   and name HB2 ))
   (( segid "SF1 " and resid 24   and name HN  ))
 ASSI {  804}
   (( segid "SF1 " and resid 24   and name HA  ))
   (( segid "SF1 " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   804 spectrum    1 weight  0.10000E+01 volume  0.68942E-02 ppm1      8.013 ppm2      4.572 CV     1
 ASSI {  808}
   (( segid "SF1 " and resid 25   and name HG1 ))
   (( segid "SF1 " and resid 25   and name HN  ))
      2.800     1.000     1.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.47829E-02 ppm1      8.011 ppm2      2.197 CV     1
 OR {  808}
   (( segid "SF1 " and resid 25   and name HG2 ))
   (( segid "SF1 " and resid 25   and name HN  ))
 ASSI {  809}
   (( segid "SF1 " and resid 25   and name HB1 ))
   (( segid "SF1 " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak   809 spectrum    1 weight  0.10000E+01 volume  0.45675E-02 ppm1      8.011 ppm2      1.986 CV     1
 ASSI {  810}
   (( segid "SF1 " and resid 25   and name HB2 ))
   (( segid "SF1 " and resid 25   and name HN  ))
      2.300     0.600     0.600 peak   810 spectrum    1 weight  0.10000E+01 volume  0.84024E-02 ppm1      8.011 ppm2      1.842 CV     1
 ASSI {  814}
   (( segid "SF1 " and resid 26   and name HA  ))
   (( segid "SF1 " and resid 26   and name HN  ))
      2.900     1.100     1.100 peak   814 spectrum    1 weight  0.10000E+01 volume  0.20812E-02 ppm1      8.055 ppm2      4.701 CV     1
 ASSI {  815}
   (( segid "SF1 " and resid 25   and name HA  ))
   (( segid "SF1 " and resid 26   and name HN  ))
      2.300     0.600     0.600 peak   815 spectrum    1 weight  0.10000E+01 volume  0.10643E-01 ppm1      8.052 ppm2      4.257 CV     1
 ASSI {  819}
   (( segid "SF1 " and resid 26   and name HG  ))
   (( segid "SF1 " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak   819 spectrum    1 weight  0.10000E+01 volume  0.68942E-02 ppm1      8.051 ppm2      1.595 CV     1
 OR {  819}
   (( segid "SF1 " and resid 26   and name HB1 ))
   (( segid "SF1 " and resid 26   and name HN  ))
 ASSI {  820}
   (( segid "SF1 " and resid 26   and name HB2 ))
   (( segid "SF1 " and resid 26   and name HN  ))
      2.900     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.19778E-02 ppm1      8.054 ppm2      1.164 CV     1
 ASSI {  821}
   (  segid "SF1 " and resid 26   and name HD1%)
   (( segid "SF1 " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.17106E-02 ppm1      8.055 ppm2      0.885 CV     1
 ASSI {  822}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.73253E-03 ppm1      8.055 ppm2      0.617 CV     1
 ASSI {  823}
   (  segid "SF1 " and resid 26   and name HD2%)
   (( segid "SF1 " and resid 26   and name HN  ))
      3.400     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.25293E-02 ppm1      8.054 ppm2      0.722 CV     1
 ASSI {  826}
   (  segid "SF1 " and resid 37   and name HD% )
   (( segid "SF1 " and resid 42   and name HN  ))
      3.500     1.600     1.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.11461E-02 ppm1      8.168 ppm2      6.721 CV     1
 OR {  826}
   (  segid "SF1 " and resid 37   and name HE% )
   (( segid "SF1 " and resid 42   and name HN  ))
 ASSI {  827}
   (( segid "SF1 " and resid 41   and name HA  ))
   (( segid "SF1 " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak   827 spectrum    1 weight  0.10000E+01 volume  0.31455E-02 ppm1      8.172 ppm2      4.825 CV     1
 ASSI {  829}
   (( segid "SF1 " and resid 41   and name HB2 ))
   (( segid "SF1 " and resid 42   and name HN  ))
      2.600     0.900     0.900 peak   829 spectrum    1 weight  0.10000E+01 volume  0.28525E-02 ppm1      8.170 ppm2      1.598 CV     1
 ASSI {  830}
   (( segid "SF1 " and resid 41   and name HG  ))
   (( segid "SF1 " and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   830 spectrum    1 weight  0.10000E+01 volume  0.12582E-02 ppm1      8.171 ppm2      1.457 CV     1
 ASSI {  831}
   (( segid "SF1 " and resid 42   and name HG  ))
   (( segid "SF1 " and resid 42   and name HN  ))
      3.000     1.100     1.100 peak   831 spectrum    1 weight  0.10000E+01 volume  0.24862E-02 ppm1      8.172 ppm2      1.106 CV     1
 ASSI {  832}
   (( segid "SF1 " and resid 42   and name HB2 ))
   (( segid "SF1 " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.14392E-02 ppm1      8.171 ppm2      0.885 CV     1
 ASSI {  834}
   (  segid "SF1 " and resid 42   and name HD1%)
   (( segid "SF1 " and resid 42   and name HN  ))
      3.200     1.300     1.300 peak   834 spectrum    1 weight  0.10000E+01 volume  0.22708E-02 ppm1      8.168 ppm2      0.611 CV     1
 ASSI {  835}
   (  segid "SF1 " and resid 42   and name HD2%)
   (( segid "SF1 " and resid 42   and name HN  ))
      3.600     1.600     1.600 peak   835 spectrum    1 weight  0.10000E+01 volume  0.96953E-03 ppm1      8.165 ppm2     -0.260 CV     1
 ASSI {  839}
   (( segid "SF1 " and resid 50   and name HN  ))
   (( segid "SF1 " and resid 49   and name HN  ))
      3.900     1.900     1.900 peak   839 spectrum    1 weight  0.10000E+01 volume  0.37272E-03 ppm1      7.756 ppm2      8.584 CV     1
 ASSI {  841}
   (( segid "SF1 " and resid 49   and name HA1 ))
   (( segid "SF1 " and resid 49   and name HN  ))
      2.600     0.800     0.800 peak   841 spectrum    1 weight  0.10000E+01 volume  0.29301E-02 ppm1      7.753 ppm2      4.004 CV     1
 ASSI {  842}
   (( segid "SF1 " and resid 49   and name HA2 ))
   (( segid "SF1 " and resid 49   and name HN  ))
      3.100     1.200     1.200 peak   842 spectrum    1 weight  0.10000E+01 volume  0.23053E-02 ppm1      7.755 ppm2      3.529 CV     1
 ASSI {  843}
   (( segid "SF1 " and resid 48   and name HB1 ))
   (( segid "SF1 " and resid 49   and name HN  ))
      3.000     1.100     1.100 peak   843 spectrum    1 weight  0.10000E+01 volume  0.15943E-02 ppm1      7.760 ppm2      1.762 CV     1
 OR {  843}
   (( segid "SF1 " and resid 48   and name HG1 ))
   (( segid "SF1 " and resid 49   and name HN  ))
 ASSI {  844}
   (( segid "SF1 " and resid 48   and name HB2 ))
   (( segid "SF1 " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.80144E-03 ppm1      7.756 ppm2      1.216 CV     1
 OR {  844}
   (( segid "SF1 " and resid 48   and name HD1 ))
   (( segid "SF1 " and resid 49   and name HN  ))
 ASSI {  845}
   (( segid "SF1 " and resid 46   and name HA  ))
   (( segid "SF1 " and resid 49   and name HN  ))
      3.900     1.900     1.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.47398E-03 ppm1      7.747 ppm2      4.328 CV     1
 OR {  845}
   (( segid "SF1 " and resid 46   and name HB2 ))
   (( segid "SF1 " and resid 49   and name HN  ))
 ASSI {  850}
   (( segid "SF1 " and resid 51   and name HA  ))
   (( segid "SF1 " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak   850 spectrum    1 weight  0.10000E+01 volume  0.10988E-02 ppm1      7.950 ppm2      3.755 CV     1
 ASSI {  851}
   (( segid "SF1 " and resid 52   and name HA  ))
   (( segid "SF1 " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.22277E-02 ppm1      7.948 ppm2      3.472 CV     1
 ASSI {  852}
   (( segid "SF1 " and resid 51   and name HB1 ))
   (( segid "SF1 " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.84456E-03 ppm1      7.948 ppm2      3.351 CV     1
 ASSI {  856}
   (( segid "SF1 " and resid 52   and name HB2 ))
   (( segid "SF1 " and resid 52   and name HN  ))
      2.200     0.600     0.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.77559E-02 ppm1      7.967 ppm2      1.855 CV     1
 ASSI {  857}
   (( segid "SF1 " and resid 52   and name HG1 ))
   (( segid "SF1 " and resid 52   and name HN  ))
      3.200     1.300     1.300 peak   857 spectrum    1 weight  0.10000E+01 volume  0.83161E-03 ppm1      7.953 ppm2      1.542 CV     1
 ASSI {  859}
   (( segid "SF1 " and resid 76   and name HG2 ))
   (( segid "SF1 " and resid 76   and name HN  ))
      2.400     0.700     0.700 peak   859 spectrum    1 weight  0.10000E+01 volume  0.33006E-02 ppm1      7.969 ppm2      1.190 CV     1
 OR {  859}
   (( segid "SF1 " and resid 76   and name HB2 ))
   (( segid "SF1 " and resid 76   and name HN  ))
 ASSI {  860}
   (( segid "SF1 " and resid 52   and name HG2 ))
   (( segid "SF1 " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak   860 spectrum    1 weight  0.10000E+01 volume  0.67652E-03 ppm1      7.951 ppm2      1.041 CV     1
 ASSI {  865}
   (  segid "SF1 " and resid 51   and name HD% )
   (( segid "SF1 " and resid 52   and name HN  ))
      4.700     2.700     1.300 peak   865 spectrum    1 weight  0.10000E+01 volume  0.27276E-03 ppm1      7.956 ppm2      7.092 CV     1
 ASSI {  867}
   (( segid "SF1 " and resid 72   and name HN  ))
   (( segid "SF1 " and resid 76   and name HN  ))
      3.400     1.400     1.400 peak   867 spectrum    1 weight  0.10000E+01 volume  0.86177E-03 ppm1      7.970 ppm2      6.686 CV     1
 ASSI {  868}
   (( segid "SF1 " and resid 75   and name HN  ))
   (( segid "SF1 " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak   868 spectrum    1 weight  0.10000E+01 volume  0.22062E-02 ppm1      7.964 ppm2      8.645 CV     1
 ASSI {  874}
   (( segid "SF1 " and resid 59   and name HA  ))
   (( segid "SF1 " and resid 60   and name HN  ))
      2.200     0.600     0.600 peak   874 spectrum    1 weight  0.10000E+01 volume  0.89193E-02 ppm1      8.220 ppm2      3.761 CV     1
 ASSI {  875}
   (( segid "SF1 " and resid 60   and name HB1 ))
   (( segid "SF1 " and resid 60   and name HN  ))
      3.200     1.300     1.300 peak   875 spectrum    1 weight  0.10000E+01 volume  0.26672E-02 ppm1      8.220 ppm2      3.158 CV     1
 ASSI {  877}
   (( segid "SF1 " and resid 108  and name HB2 ))
   (( segid "SF1 " and resid 109  and name HN  ))
      3.200     1.300     1.300 peak   877 spectrum    1 weight  0.10000E+01 volume  0.18701E-02 ppm1      8.220 ppm2      1.599 CV     1
 ASSI {  878}
   (( segid "SF1 " and resid 59   and name HG1 ))
   (( segid "SF1 " and resid 60   and name HN  ))
      5.400     3.600     0.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.37531E-03 ppm1      8.213 ppm2      1.308 CV     1
 ASSI {  879}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (( segid "SF1 " and resid 60   and name HN  ))
      2.600     0.900     0.900 peak   879 spectrum    1 weight  0.10000E+01 volume  0.40461E-02 ppm1      8.219 ppm2      1.089 CV     1
 OR {  879}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (( segid "SF1 " and resid 60   and name HN  ))
 ASSI {  880}
   (( segid "SF1 " and resid 62   and name HN  ))
   (( segid "SF1 " and resid 61   and name HN  ))
      4.600     2.600     1.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.54291E-03 ppm1      8.459 ppm2      8.695 CV     1
 ASSI {  881}
   (( segid "SF1 " and resid 60   and name HN  ))
   (( segid "SF1 " and resid 61   and name HN  ))
      4.300     2.300     1.700 peak   881 spectrum    1 weight  0.10000E+01 volume  0.53433E-03 ppm1      8.451 ppm2      8.225 CV     1
 ASSI {  883}
   (( segid "SF1 " and resid 64   and name HN  ))
   (( segid "SF1 " and resid 63   and name HN  ))
      4.500     2.500     1.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.28137E-03 ppm1      8.433 ppm2      9.334 CV     1
 ASSI {  884}
   (( segid "SF1 " and resid 81   and name HB2 ))
   (( segid "SF1 " and resid 63   and name HN  ))
      4.200     2.200     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.40116E-03 ppm1      8.423 ppm2      2.868 CV     1
 ASSI {  885}
   (( segid "SF1 " and resid 81   and name HB1 ))
   (( segid "SF1 " and resid 63   and name HN  ))
      3.700     1.700     1.700 peak   885 spectrum    1 weight  0.10000E+01 volume  0.54723E-03 ppm1      8.430 ppm2      3.051 CV     1
 ASSI {  886}
   (( segid "SF1 " and resid 67   and name HG1 ))
   (( segid "SF1 " and resid 63   and name HN  ))
      5.500     3.700     0.500 peak   886 spectrum    1 weight  0.10000E+01 volume  0.14607E-03 ppm1      8.430 ppm2      2.155 CV     1
 ASSI {  890}
   (( segid "SF1 " and resid 69   and name HB2 ))
   (( segid "SF1 " and resid 70   and name HN  ))
      3.900     1.900     1.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.12798E-02 ppm1      8.330 ppm2      2.587 CV     1
 ASSI {  894}
   (( segid "SF1 " and resid 69   and name HB1 ))
   (( segid "SF1 " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.26284E-02 ppm1      8.326 ppm2      2.828 CV     1
 ASSI {  897}
   (( segid "SF1 " and resid 72   and name HA  ))
   (( segid "SF1 " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak   897 spectrum    1 weight  0.10000E+01 volume  0.41323E-02 ppm1      8.220 ppm2      4.950 CV     1
 ASSI {  898}
   (( segid "SF1 " and resid 74   and name HA  ))
   (( segid "SF1 " and resid 73   and name HN  ))
      4.100     2.100     1.900 peak   898 spectrum    1 weight  0.10000E+01 volume  0.71095E-03 ppm1      8.230 ppm2      4.240 CV     1
 ASSI {  902}
   (( segid "SF1 " and resid 116  and name HB2 ))
   (( segid "SF1 " and resid 117  and name HN  ))
      3.300     1.300     1.300 peak   902 spectrum    1 weight  0.10000E+01 volume  0.13875E-02 ppm1      8.224 ppm2      2.719 CV     1
 ASSI {  903}
   (( segid "SF1 " and resid 72   and name HB2 ))
   (( segid "SF1 " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak   903 spectrum    1 weight  0.10000E+01 volume  0.47398E-02 ppm1      8.220 ppm2      2.553 CV     1
 ASSI {  907}
   (( segid "SF1 " and resid 78   and name HN  ))
   (( segid "SF1 " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.45244E-02 ppm1      6.894 ppm2      7.619 CV     1
 ASSI {  908}
   (( segid "SF1 " and resid 79   and name HA  ))
   (( segid "SF1 " and resid 79   and name HN  ))
      2.800     1.000     1.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.23397E-02 ppm1      6.895 ppm2      4.988 CV     1
 ASSI {  910}
   (( segid "SF1 " and resid 80   and name HD2 ))
   (( segid "SF1 " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak   910 spectrum    1 weight  0.10000E+01 volume  0.98674E-03 ppm1      6.895 ppm2      3.233 CV     1
 ASSI {  911}
   (( segid "SF1 " and resid 82   and name HB1 ))
   (( segid "SF1 " and resid 79   and name HN  ))
      5.800     4.200     0.200 peak   911 spectrum    1 weight  0.10000E+01 volume  0.25337E-03 ppm1      6.895 ppm2      3.029 CV     1
 ASSI {  912}
   (( segid "SF1 " and resid 79   and name HB2 ))
   (( segid "SF1 " and resid 79   and name HN  ))
      2.600     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.43520E-02 ppm1      6.895 ppm2      2.823 CV     1
 OR {  912}
   (( segid "SF1 " and resid 79   and name HB1 ))
   (( segid "SF1 " and resid 79   and name HN  ))
 ASSI {  913}
   (( segid "SF1 " and resid 78   and name HB1 ))
   (( segid "SF1 " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.46967E-02 ppm1      6.894 ppm2      1.932 CV     1
 OR {  913}
   (( segid "SF1 " and resid 78   and name HB2 ))
   (( segid "SF1 " and resid 79   and name HN  ))
 ASSI {  914}
   (( segid "SF1 " and resid 78   and name HG1 ))
   (( segid "SF1 " and resid 79   and name HN  ))
      3.600     1.600     1.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.15598E-02 ppm1      6.893 ppm2      1.699 CV     1
 OR {  914}
   (( segid "SF1 " and resid 78   and name HG2 ))
   (( segid "SF1 " and resid 79   and name HN  ))
 ASSI {  916}
   (( segid "SF1 " and resid 82   and name HN  ))
   (( segid "SF1 " and resid 81   and name HN  ))
      3.100     1.200     1.200 peak   916 spectrum    1 weight  0.10000E+01 volume  0.10126E-02 ppm1      8.527 ppm2      9.844 CV     1
 ASSI {  918}
   (  segid "SF1 " and resid 81   and name HD% )
   (( segid "SF1 " and resid 81   and name HN  ))
      4.100     2.100     1.900 peak   918 spectrum    1 weight  0.10000E+01 volume  0.13573E-02 ppm1      8.528 ppm2      7.739 CV     1
 ASSI {  921}
   (( segid "SF1 " and resid 80   and name HA  ))
   (( segid "SF1 " and resid 81   and name HN  ))
      4.100     2.100     1.900 peak   921 spectrum    1 weight  0.10000E+01 volume  0.34256E-03 ppm1      8.527 ppm2      3.923 CV     1
 ASSI {  922}
   (( segid "SF1 " and resid 61   and name HB1 ))
   (( segid "SF1 " and resid 81   and name HN  ))
      3.500     1.600     1.600 peak   922 spectrum    1 weight  0.10000E+01 volume  0.77991E-03 ppm1      8.535 ppm2      3.594 CV     1
 ASSI {  924}
   (( segid "SF1 " and resid 81   and name HB2 ))
   (( segid "SF1 " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak   924 spectrum    1 weight  0.10000E+01 volume  0.29559E-02 ppm1      8.528 ppm2      2.860 CV     1
 ASSI {  925}
   (( segid "SF1 " and resid 61   and name HB2 ))
   (( segid "SF1 " and resid 81   and name HN  ))
      3.200     1.300     1.300 peak   925 spectrum    1 weight  0.10000E+01 volume  0.19003E-02 ppm1      8.528 ppm2      2.726 CV     1
 ASSI {  927}
   (( segid "SF1 " and resid 80   and name HB1 ))
   (( segid "SF1 " and resid 81   and name HN  ))
      3.900     1.900     1.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.12065E-02 ppm1      8.531 ppm2      0.578 CV     1
 ASSI {  928}
   (( segid "SF1 " and resid 87   and name HN  ))
   (( segid "SF1 " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak   928 spectrum    1 weight  0.10000E+01 volume  0.22708E-02 ppm1      7.983 ppm2      8.526 CV     1
 ASSI {  929}
   (( segid "SF1 " and resid 85   and name HN  ))
   (( segid "SF1 " and resid 86   and name HN  ))
      2.600     0.900     0.900 peak   929 spectrum    1 weight  0.10000E+01 volume  0.24216E-02 ppm1      7.985 ppm2      8.358 CV     1
 ASSI {  932}
   (( segid "SF1 " and resid 86   and name HE2 ))
   (( segid "SF1 " and resid 86   and name HN  ))
      4.700     2.700     1.300 peak   932 spectrum    1 weight  0.10000E+01 volume  0.62909E-03 ppm1      7.976 ppm2      3.100 CV     1
 ASSI {  934}
   (( segid "SF1 " and resid 86   and name HB1 ))
   (( segid "SF1 " and resid 86   and name HN  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.45244E-02 ppm1      7.984 ppm2      2.205 CV     1
 ASSI {  935}
   (( segid "SF1 " and resid 85   and name HB1 ))
   (( segid "SF1 " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak   935 spectrum    1 weight  0.10000E+01 volume  0.32015E-02 ppm1      7.984 ppm2      2.013 CV     1
 ASSI {  948}
   (( segid "SF1 " and resid 86   and name HB1 ))
   (( segid "SF1 " and resid 87   and name HN  ))
      2.900     1.100     1.100 peak   948 spectrum    1 weight  0.10000E+01 volume  0.11419E-02 ppm1      8.522 ppm2      2.201 CV     1
 ASSI {  950}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (( segid "SF1 " and resid 87   and name HN  ))
      4.500     2.500     1.500 peak   950 spectrum    1 weight  0.10000E+01 volume  0.34342E-03 ppm1      8.521 ppm2      1.485 CV     1
 OR {  950}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (( segid "SF1 " and resid 87   and name HN  ))
 ASSI {  952}
   (  segid "SF1 " and resid 29   and name HG1%)
   (( segid "SF1 " and resid 87   and name HN  ))
      3.600     1.600     1.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.96090E-03 ppm1      8.522 ppm2      0.970 CV     1
 ASSI {  954}
   (( segid "SF1 " and resid 90   and name HN  ))
   (( segid "SF1 " and resid 91   and name HN  ))
      2.500     0.800     0.800 peak   954 spectrum    1 weight  0.10000E+01 volume  0.30464E-02 ppm1      7.153 ppm2      8.305 CV     1
 ASSI {  955}
   (( segid "SF1 " and resid 92   and name HN  ))
   (( segid "SF1 " and resid 91   and name HN  ))
      2.100     0.600     0.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.44813E-02 ppm1      7.155 ppm2      8.009 CV     1
 ASSI {  956}
   (( segid "SF1 " and resid 91   and name HA1 ))
   (( segid "SF1 " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak   956 spectrum    1 weight  0.10000E+01 volume  0.44813E-02 ppm1      7.154 ppm2      4.456 CV     1
 ASSI {  958}
   (( segid "SF1 " and resid 91   and name HA2 ))
   (( segid "SF1 " and resid 91   and name HN  ))
      2.400     0.700     0.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.56449E-02 ppm1      7.154 ppm2      3.612 CV     1
 ASSI {  960}
   (( segid "SF1 " and resid 92   and name HG2 ))
   (( segid "SF1 " and resid 91   and name HN  ))
      5.100     3.300     0.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.55586E-03 ppm1      7.155 ppm2      1.862 CV     1
 ASSI {  961}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 91   and name HN  ))
      2.600     0.900     0.900 peak   961 spectrum    1 weight  0.10000E+01 volume  0.36066E-02 ppm1      7.155 ppm2      0.927 CV     1
 ASSI {  962}
   (  segid "SF1 " and resid 41   and name HD1%)
   (( segid "SF1 " and resid 91   and name HN  ))
      3.500     1.600     1.600 peak   962 spectrum    1 weight  0.10000E+01 volume  0.15168E-02 ppm1      7.157 ppm2      0.745 CV     1
 ASSI {  963}
   (( segid "SF1 " and resid 93   and name HN  ))
   (( segid "SF1 " and resid 92   and name HN  ))
      4.800     2.900     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.32101E-03 ppm1      8.003 ppm2      8.781 CV     1
 ASSI {  964}
   (( segid "SF1 " and resid 90   and name HN  ))
   (( segid "SF1 " and resid 92   and name HN  ))
      4.400     2.400     1.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.79286E-03 ppm1      8.003 ppm2      8.306 CV     1
 ASSI {  966}
   (( segid "SF1 " and resid 91   and name HA1 ))
   (( segid "SF1 " and resid 92   and name HN  ))
      3.400     1.400     1.400 peak   966 spectrum    1 weight  0.10000E+01 volume  0.11419E-02 ppm1      8.009 ppm2      4.451 CV     1
 ASSI {  968}
   (( segid "SF1 " and resid 87   and name HA  ))
   (( segid "SF1 " and resid 92   and name HN  ))
      4.400     2.400     1.600 peak   968 spectrum    1 weight  0.10000E+01 volume  0.50843E-03 ppm1      8.005 ppm2      3.838 CV     1
 ASSI {  969}
   (( segid "SF1 " and resid 91   and name HA2 ))
   (( segid "SF1 " and resid 92   and name HN  ))
      3.400     1.400     1.400 peak   969 spectrum    1 weight  0.10000E+01 volume  0.17580E-02 ppm1      8.007 ppm2      3.624 CV     1
 ASSI {  970}
   (( segid "SF1 " and resid 92   and name HG1 ))
   (( segid "SF1 " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak   970 spectrum    1 weight  0.10000E+01 volume  0.28870E-02 ppm1      8.006 ppm2      2.348 CV     1
 ASSI {  971}
   (( segid "SF1 " and resid 92   and name HG2 ))
   (( segid "SF1 " and resid 92   and name HN  ))
      2.700     0.900     0.900 peak   971 spectrum    1 weight  0.10000E+01 volume  0.36755E-02 ppm1      8.004 ppm2      1.898 CV     1
 ASSI {  973}
   (  segid "SF1 " and resid 90   and name HG2%)
   (( segid "SF1 " and resid 92   and name HN  ))
      2.400     0.700     0.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.53433E-02 ppm1      8.006 ppm2      0.912 CV     1
 ASSI {  974}
   (  segid "SF1 " and resid 41   and name HD2%)
   (( segid "SF1 " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.59892E-02 ppm1      8.006 ppm2      0.695 CV     1
 ASSI {  975}
   (  segid "SF1 " and resid 109  and name HE% )
   (( segid "SF1 " and resid 96   and name HN  ))
      3.900     1.900     1.900 peak   975 spectrum    1 weight  0.10000E+01 volume  0.62477E-03 ppm1      7.764 ppm2      7.160 CV     1
 OR {  975}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 96   and name HN  ))
 ASSI {  977}
   (( segid "SF1 " and resid 96   and name HA  ))
   (( segid "SF1 " and resid 96   and name HN  ))
      2.700     0.900     0.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.43003E-02 ppm1      7.764 ppm2      4.582 CV     1
 ASSI {  978}
   (( segid "SF1 " and resid 95   and name HA  ))
   (( segid "SF1 " and resid 96   and name HN  ))
      3.600     1.600     1.600 peak   978 spectrum    1 weight  0.10000E+01 volume  0.81007E-03 ppm1      7.762 ppm2      4.340 CV     1
 ASSI {  979}
   (( segid "SF1 " and resid 94   and name HA  ))
   (( segid "SF1 " and resid 96   and name HN  ))
      3.700     1.700     1.700 peak   979 spectrum    1 weight  0.10000E+01 volume  0.53433E-03 ppm1      7.764 ppm2      4.057 CV     1
 ASSI {  980}
   (( segid "SF1 " and resid 95   and name HG2 ))
   (( segid "SF1 " and resid 96   and name HN  ))
      3.700     1.700     1.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.12324E-02 ppm1      7.762 ppm2      2.400 CV     1
 OR {  980}
   (( segid "SF1 " and resid 95   and name HG1 ))
   (( segid "SF1 " and resid 96   and name HN  ))
 ASSI {  981}
   (( segid "SF1 " and resid 95   and name HB2 ))
   (( segid "SF1 " and resid 96   and name HN  ))
      3.300     1.300     1.300 peak   981 spectrum    1 weight  0.10000E+01 volume  0.19476E-02 ppm1      7.766 ppm2      2.178 CV     1
 OR {  981}
   (( segid "SF1 " and resid 95   and name HB1 ))
   (( segid "SF1 " and resid 96   and name HN  ))
 ASSI {  982}
   (  segid "SF1 " and resid 96   and name HB% )
   (( segid "SF1 " and resid 96   and name HN  ))
      2.300     0.600     0.600 peak   982 spectrum    1 weight  0.10000E+01 volume  0.10471E-01 ppm1      7.762 ppm2      1.820 CV     1
 ASSI {  989}
   (  segid "SF1 " and resid 96   and name HB% )
   (( segid "SF1 " and resid 97   and name HN  ))
      3.200     1.300     1.300 peak   989 spectrum    1 weight  0.10000E+01 volume  0.21243E-02 ppm1      7.697 ppm2      1.815 CV     1
 ASSI {  990}
   (  segid "SF1 " and resid 97   and name HG1%)
   (( segid "SF1 " and resid 97   and name HN  ))
      2.900     1.100     1.100 peak   990 spectrum    1 weight  0.10000E+01 volume  0.27103E-02 ppm1      7.703 ppm2      0.820 CV     1
 ASSI {  992}
   (( segid "SF1 " and resid 102  and name HN  ))
   (( segid "SF1 " and resid 103  and name HN  ))
      4.500     2.500     1.500 peak   992 spectrum    1 weight  0.10000E+01 volume  0.41021E-03 ppm1      8.372 ppm2      7.292 CV     1
 ASSI {  993}
   (( segid "SF1 " and resid 103  and name HA  ))
   (( segid "SF1 " and resid 103  and name HN  ))
      3.600     1.600     1.600 peak   993 spectrum    1 weight  0.10000E+01 volume  0.56876E-03 ppm1      8.366 ppm2      4.474 CV     1
 ASSI {  996}
   (( segid "SF1 " and resid 102  and name HB1 ))
   (( segid "SF1 " and resid 103  and name HN  ))
      3.600     1.700     1.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.11677E-02 ppm1      8.364 ppm2      2.071 CV     1
 OR {  996}
   (  segid "SF1 " and resid 102  and name HE% )
   (( segid "SF1 " and resid 103  and name HN  ))
 ASSI {  998}
   (( segid "SF1 " and resid 102  and name HG1 ))
   (( segid "SF1 " and resid 103  and name HN  ))
      3.400     1.400     1.400 peak   998 spectrum    1 weight  0.10000E+01 volume  0.17020E-02 ppm1      8.365 ppm2      2.593 CV     1
 ASSI { 1002}
   (( segid "SF1 " and resid 106  and name HA  ))
   (( segid "SF1 " and resid 106  and name HN  ))
      3.100     1.200     1.200 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.13444E-02 ppm1      7.867 ppm2      4.295 CV     1
 ASSI { 1007}
   (( segid "SF1 " and resid 105  and name HA2 ))
   (( segid "SF1 " and resid 106  and name HN  ))
      2.700     0.900     0.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.34041E-02 ppm1      7.863 ppm2      3.012 CV     1
 ASSI { 1008}
   (( segid "SF1 " and resid 106  and name HB2 ))
   (( segid "SF1 " and resid 106  and name HN  ))
      3.300     1.300     1.300 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.11289E-02 ppm1      7.867 ppm2      2.016 CV     1
 OR { 1008}
   (( segid "SF1 " and resid 106  and name HB1 ))
   (( segid "SF1 " and resid 106  and name HN  ))
 ASSI { 1009}
   (( segid "SF1 " and resid 106  and name HG2 ))
   (( segid "SF1 " and resid 106  and name HN  ))
      3.200     1.300     1.300 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.13186E-02 ppm1      7.867 ppm2      1.861 CV     1
 OR { 1009}
   (( segid "SF1 " and resid 106  and name HG1 ))
   (( segid "SF1 " and resid 106  and name HN  ))
 ASSI { 1010}
   (( segid "SF1 " and resid 107  and name HA  ))
   (( segid "SF1 " and resid 107  and name HN  ))
      3.400     1.500     1.500 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.91778E-03 ppm1      8.255 ppm2      4.850 CV     1
 ASSI { 1011}
   (( segid "SF1 " and resid 106  and name HA  ))
   (( segid "SF1 " and resid 107  and name HN  ))
      2.600     0.800     0.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.36540E-02 ppm1      8.246 ppm2      4.290 CV     1
 ASSI { 1012}
   (( segid "SF1 " and resid 107  and name HB1 ))
   (( segid "SF1 " and resid 107  and name HN  ))
      4.000     2.000     2.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.53001E-03 ppm1      8.247 ppm2      3.493 CV     1
 ASSI { 1013}
   (( segid "SF1 " and resid 107  and name HB2 ))
   (( segid "SF1 " and resid 107  and name HN  ))
      3.600     1.600     1.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.65925E-03 ppm1      8.248 ppm2      2.968 CV     1
 ASSI { 1014}
   (( segid "SF1 " and resid 106  and name HB1 ))
   (( segid "SF1 " and resid 107  and name HN  ))
      3.700     1.700     1.700 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.10859E-02 ppm1      8.249 ppm2      2.016 CV     1
 OR { 1014}
   (( segid "SF1 " and resid 106  and name HB2 ))
   (( segid "SF1 " and resid 107  and name HN  ))
 ASSI { 1015}
   (( segid "SF1 " and resid 106  and name HG1 ))
   (( segid "SF1 " and resid 107  and name HN  ))
      3.900     1.900     1.900 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.12970E-02 ppm1      8.243 ppm2      1.863 CV     1
 OR { 1015}
   (( segid "SF1 " and resid 106  and name HG2 ))
   (( segid "SF1 " and resid 107  and name HN  ))
 ASSI { 1017}
   (  segid "SF1 " and resid 113  and name HD% )
   (( segid "SF1 " and resid 113  and name HN  ))
      3.400     1.500     1.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.16374E-02 ppm1      7.740 ppm2      6.515 CV     1
 ASSI { 1022}
   (( segid "SF1 " and resid 113  and name HB1 ))
   (( segid "SF1 " and resid 113  and name HN  ))
      3.200     1.300     1.300 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.36841E-02 ppm1      7.739 ppm2      2.747 CV     1
 ASSI { 1023}
   (( segid "SF1 " and resid 113  and name HB2 ))
   (( segid "SF1 " and resid 113  and name HN  ))
      2.500     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.27965E-02 ppm1      7.740 ppm2      2.386 CV     1
 ASSI { 1025}
   (( segid "SF1 " and resid 112  and name HG1 ))
   (( segid "SF1 " and resid 113  and name HN  ))
      2.300     0.700     0.700 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.68083E-02 ppm1      7.739 ppm2      2.047 CV     1
 OR { 1025}
   (( segid "SF1 " and resid 112  and name HG2 ))
   (( segid "SF1 " and resid 113  and name HN  ))
 ASSI { 1029}
   (  segid "SF1 " and resid 113  and name HD% )
   (( segid "SF1 " and resid 114  and name HN  ))
      4.900     3.000     1.100 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.33136E-03 ppm1      7.785 ppm2      6.515 CV     1
 ASSI { 1030}
   (( segid "SF1 " and resid 111  and name HA  ))
   (( segid "SF1 " and resid 114  and name HN  ))
      3.000     1.100     1.100 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.18184E-02 ppm1      7.783 ppm2      4.207 CV     1
 ASSI { 1032}
   (( segid "SF1 " and resid 113  and name HB1 ))
   (( segid "SF1 " and resid 114  and name HN  ))
      3.200     1.300     1.300 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.14564E-02 ppm1      7.779 ppm2      2.747 CV     1
 ASSI { 1033}
   (( segid "SF1 " and resid 113  and name HB2 ))
   (( segid "SF1 " and resid 114  and name HN  ))
      3.000     1.100     1.100 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.14047E-02 ppm1      7.779 ppm2      2.401 CV     1
 ASSI { 1034}
   (( segid "SF1 " and resid 114  and name HB1 ))
   (( segid "SF1 " and resid 114  and name HN  ))
      2.300     0.700     0.700 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.80576E-02 ppm1      7.782 ppm2      1.809 CV     1
 OR { 1034}
   (( segid "SF1 " and resid 114  and name HB2 ))
   (( segid "SF1 " and resid 114  and name HN  ))
 ASSI { 1043}
   (( segid "SF1 " and resid 115  and name HB1 ))
   (( segid "SF1 " and resid 115  and name HN  ))
      2.000     0.500     0.500 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.16589E-01 ppm1      7.826 ppm2      1.864 CV     1
 OR { 1043}
   (( segid "SF1 " and resid 115  and name HB2 ))
   (( segid "SF1 " and resid 115  and name HN  ))
 ASSI { 1045}
   (( segid "SF1 " and resid 114  and name HG1 ))
   (( segid "SF1 " and resid 115  and name HN  ))
      4.100     2.100     1.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.62477E-03 ppm1      7.825 ppm2      1.509 CV     1
 ASSI { 1046}
   (( segid "SF1 " and resid 115  and name HN  ))
   (( segid "SF1 " and resid 116  and name HN  ))
      2.500     0.800     0.800 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.47829E-02 ppm1      8.234 ppm2      7.828 CV     1
 ASSI { 1047}
   (( segid "SF1 " and resid 116  and name HA  ))
   (( segid "SF1 " and resid 116  and name HN  ))
      2.700     0.900     0.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.34558E-02 ppm1      8.233 ppm2      4.421 CV     1
 ASSI { 1048}
   (( segid "SF1 " and resid 115  and name HA  ))
   (( segid "SF1 " and resid 116  and name HN  ))
      3.000     1.100     1.100 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.28137E-02 ppm1      8.234 ppm2      4.095 CV     1
 ASSI { 1051}
   (( segid "SF1 " and resid 116  and name HB2 ))
   (( segid "SF1 " and resid 116  and name HN  ))
      2.200     0.600     0.600 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.88762E-02 ppm1      8.234 ppm2      2.746 CV     1
 ASSI { 1052}
   (( segid "SF1 " and resid 116  and name HB1 ))
   (( segid "SF1 " and resid 116  and name HN  ))
      3.100     1.200     1.200 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.37445E-02 ppm1      8.237 ppm2      2.840 CV     1
 ASSI { 1055}
   (( segid "SF1 " and resid 115  and name HB2 ))
   (( segid "SF1 " and resid 116  and name HN  ))
      2.400     0.700     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.63772E-02 ppm1      8.234 ppm2      1.878 CV     1
 OR { 1055}
   (( segid "SF1 " and resid 115  and name HB1 ))
   (( segid "SF1 " and resid 116  and name HN  ))
 ASSI { 1056}
   (( segid "SF1 " and resid 115  and name HG1 ))
   (( segid "SF1 " and resid 116  and name HN  ))
      3.800     1.800     1.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.11461E-02 ppm1      8.233 ppm2      1.759 CV     1
 ASSI { 1062}
   (( segid "SF1 " and resid 110  and name HA2 ))
   (( segid "SF1 " and resid 109  and name HN  ))
      4.300     2.300     1.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.60756E-03 ppm1      8.196 ppm2      3.946 CV     1
 ASSI { 1064}
   (( segid "SF1 " and resid 109  and name HB2 ))
   (( segid "SF1 " and resid 109  and name HN  ))
      2.600     0.900     0.900 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.26112E-02 ppm1      8.199 ppm2      2.497 CV     1
 ASSI { 1066}
   (( segid "SF1 " and resid 108  and name HG2 ))
   (( segid "SF1 " and resid 109  and name HN  ))
      4.200     2.200     1.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.38177E-03 ppm1      8.201 ppm2      0.693 CV     1
 ASSI { 1069}
   (( segid "SF1 " and resid 119  and name HN  ))
   (( segid "SF1 " and resid 118  and name HN  ))
      2.400     0.700     0.700 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.51706E-02 ppm1      7.757 ppm2      7.952 CV     1
 ASSI { 1077}
   (( segid "SF1 " and resid 119  and name HB2 ))
   (( segid "SF1 " and resid 119  and name HN  ))
      2.400     0.700     0.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.71526E-02 ppm1      7.951 ppm2      1.638 CV     1
 ASSI { 1078}
   (  segid "SF1 " and resid 118  and name HB% )
   (( segid "SF1 " and resid 119  and name HN  ))
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.70668E-02 ppm1      7.951 ppm2      1.477 CV     1
 ASSI { 1079}
   (( segid "SF1 " and resid 119  and name HG  ))
   (( segid "SF1 " and resid 119  and name HN  ))
      2.200     0.600     0.600 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.68083E-02 ppm1      7.954 ppm2      1.781 CV     1
 ASSI { 1080}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 119  and name HN  ))
      3.300     1.400     1.400 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.33911E-02 ppm1      7.955 ppm2      0.885 CV     1
 OR { 1080}
   (  segid "SF1 " and resid 119  and name HD2%)
   (( segid "SF1 " and resid 119  and name HN  ))
 ASSI { 1085}
   (( segid "SF1 " and resid 120  and name HB1 ))
   (( segid "SF1 " and resid 120  and name HN  ))
      2.100     0.600     0.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.13444E-01 ppm1      7.886 ppm2      1.892 CV     1
 OR { 1085}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 120  and name HN  ))
 ASSI { 1088}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 120  and name HN  ))
      3.400     1.400     1.400 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.14564E-02 ppm1      7.890 ppm2      0.906 CV     1
 ASSI { 1089}
   (( segid "SF1 " and resid 121  and name HA  ))
   (( segid "SF1 " and resid 121  and name HN  ))
      2.400     0.700     0.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.10428E-01 ppm1      7.878 ppm2      4.200 CV     1
 ASSI { 1090}
   (( segid "SF1 " and resid 121  and name HG1 ))
   (( segid "SF1 " and resid 121  and name HN  ))
      2.900     1.000     1.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.43520E-02 ppm1      7.880 ppm2      2.436 CV     1
 ASSI { 1091}
   (( segid "SF1 " and resid 121  and name HB1 ))
   (( segid "SF1 " and resid 121  and name HN  ))
      2.200     0.600     0.600 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.11333E-01 ppm1      7.877 ppm2      2.086 CV     1
 OR { 1091}
   (( segid "SF1 " and resid 121  and name HB2 ))
   (( segid "SF1 " and resid 121  and name HN  ))
 ASSI { 1092}
   (( segid "SF1 " and resid 120  and name HB2 ))
   (( segid "SF1 " and resid 121  and name HN  ))
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.60324E-02 ppm1      7.877 ppm2      1.896 CV     1
 OR { 1092}
   (( segid "SF1 " and resid 120  and name HB1 ))
   (( segid "SF1 " and resid 121  and name HN  ))
 ASSI { 1094}
   (  segid "SF1 " and resid 118  and name HB% )
   (( segid "SF1 " and resid 121  and name HN  ))
      4.300     2.300     1.700 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.65925E-03 ppm1      7.875 ppm2      1.488 CV     1
 ASSI { 1099}
   (( segid "SF1 " and resid 122  and name HG1 ))
   (( segid "SF1 " and resid 123  and name HN  ))
      4.700     2.800     1.300 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.30335E-03 ppm1      8.034 ppm2      2.434 CV     1
 ASSI { 1100}
   (( segid "SF1 " and resid 122  and name HB1 ))
   (( segid "SF1 " and resid 123  and name HN  ))
      3.100     1.200     1.200 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.18744E-02 ppm1      8.033 ppm2      2.132 CV     1
 ASSI { 1101}
   (( segid "SF1 " and resid 123  and name HB2 ))
   (( segid "SF1 " and resid 123  and name HN  ))
      2.400     0.700     0.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.75406E-02 ppm1      8.035 ppm2      1.787 CV     1
 ASSI { 1102}
   (( segid "SF1 " and resid 123  and name HG1 ))
   (( segid "SF1 " and resid 123  and name HN  ))
      3.300     1.400     1.400 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.22751E-02 ppm1      8.033 ppm2      1.445 CV     1
 OR { 1102}
   (( segid "SF1 " and resid 123  and name HG2 ))
   (( segid "SF1 " and resid 123  and name HN  ))
 ASSI { 1104}
   (( segid "SF1 " and resid 125  and name HN  ))
   (( segid "SF1 " and resid 124  and name HN  ))
      3.800     1.800     1.800 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.76269E-03 ppm1      8.138 ppm2      7.858 CV     1
 ASSI { 1111}
   (( segid "SF1 " and resid 125  and name HA  ))
   (( segid "SF1 " and resid 125  and name HN  ))
      3.800     1.800     1.800 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.55154E-03 ppm1      7.848 ppm2      4.113 CV     1
 ASSI { 1112}
   (( segid "SF1 " and resid 124  and name HB1 ))
   (( segid "SF1 " and resid 125  and name HN  ))
      3.800     1.800     1.800 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.60324E-03 ppm1      7.851 ppm2      1.840 CV     1
 ASSI { 1113}
   (( segid "SF1 " and resid 125  and name HB2 ))
   (( segid "SF1 " and resid 125  and name HN  ))
      3.500     1.500     1.500 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.12194E-02 ppm1      7.851 ppm2      1.312 CV     1
 OR { 1113}
   (( segid "SF1 " and resid 125  and name HB1 ))
   (( segid "SF1 " and resid 125  and name HN  ))
 OR { 1113}
   (( segid "SF1 " and resid 125  and name HB3 ))
   (( segid "SF1 " and resid 125  and name HN  ))
 ASSI { 1114}
   (( segid "SF1 " and resid 85   and name HE22))
   (( segid "SF1 " and resid 89   and name HN  ))
      4.600     2.700     1.400 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.31584E-03 ppm1      8.627 ppm2      6.879 CV     1
 ASSI { 1115}
   (  segid "SF1 " and resid 118  and name HB% )
   (( segid "SF1 " and resid 117  and name HN  ))
      4.300     2.300     1.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.10169E-02 ppm1      8.269 ppm2      1.487 CV     1
 ASSI { 1116}
   (( segid "SF1 " and resid 117  and name HG2 ))
   (( segid "SF1 " and resid 117  and name HN  ))
      3.600     1.600     1.600 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.20123E-02 ppm1      8.268 ppm2      1.656 CV     1
 ASSI { 1117}
   (( segid "SF1 " and resid 117  and name HB2 ))
   (( segid "SF1 " and resid 117  and name HN  ))
      2.300     0.700     0.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.72390E-02 ppm1      8.267 ppm2      1.871 CV     1
 OR { 1117}
   (( segid "SF1 " and resid 117  and name HG1 ))
   (( segid "SF1 " and resid 117  and name HN  ))
 ASSI { 1119}
   (( segid "SF1 " and resid 116  and name HB1 ))
   (( segid "SF1 " and resid 117  and name HN  ))
      2.900     1.000     1.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.24432E-02 ppm1      8.269 ppm2      2.832 CV     1
 ASSI { 1121}
   (( segid "SF1 " and resid 17   and name HB1 ))
   (( segid "SF1 " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.47829E-02 ppm1      8.307 ppm2      2.778 CV     1
 ASSI { 1126}
   (( segid "SF1 " and resid 116  and name HA  ))
   (( segid "SF1 " and resid 117  and name HN  ))
      3.100     1.200     1.200 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.22492E-02 ppm1      8.262 ppm2      4.408 CV     1
 ASSI { 1127}
   (( segid "SF1 " and resid 107  and name HA  ))
   (( segid "SF1 " and resid 109  and name HN  ))
      4.000     2.000     2.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.86609E-03 ppm1      8.200 ppm2      4.868 CV     1
 ASSI { 1128}
   (( segid "SF1 " and resid 48   and name HD2 ))
   (( segid "SF1 " and resid 48   and name HN  ))
      5.000     3.200     1.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.39168E-03 ppm1      7.166 ppm2      0.460 CV     1
 ASSI { 1129}
   (( segid "SF1 " and resid 48   and name HG2 ))
   (( segid "SF1 " and resid 48   and name HN  ))
      4.500     2.500     1.500 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.27448E-03 ppm1      7.159 ppm2      0.849 CV     1
 ASSI { 1130}
   (( segid "SF1 " and resid 48   and name HB2 ))
   (( segid "SF1 " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.21631E-02 ppm1      7.164 ppm2      1.228 CV     1
 ASSI { 1131}
   (( segid "SF1 " and resid 48   and name HB1 ))
   (( segid "SF1 " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.24733E-02 ppm1      7.166 ppm2      1.755 CV     1
 OR { 1131}
   (( segid "SF1 " and resid 48   and name HG1 ))
   (( segid "SF1 " and resid 48   and name HN  ))
 ASSI { 1132}
   (( segid "SF1 " and resid 47   and name HB2 ))
   (( segid "SF1 " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.10816E-02 ppm1      7.165 ppm2      2.956 CV     1
 ASSI { 1133}
   (( segid "SF1 " and resid 45   and name HA  ))
   (( segid "SF1 " and resid 48   and name HN  ))
      3.900     1.900     1.900 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.51706E-03 ppm1      7.159 ppm2      3.696 CV     1
 ASSI { 1134}
   (( segid "SF1 " and resid 48   and name HA  ))
   (( segid "SF1 " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.16718E-02 ppm1      7.163 ppm2      3.960 CV     1
 ASSI { 1137}
   (( segid "SF1 " and resid 49   and name HN  ))
   (( segid "SF1 " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      7.166 ppm2      7.758 CV     1
 ASSI { 1138}
   (( segid "SF1 " and resid 47   and name HN  ))
   (( segid "SF1 " and resid 48   and name HN  ))
      3.300     1.400     1.400 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.91778E-03 ppm1      7.164 ppm2      9.933 CV     1
 ASSI { 1139}
   (( segid "SF1 " and resid 43   and name HA  ))
   (( segid "SF1 " and resid 48   and name HN  ))
      5.400     3.600     0.600 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.25854E-03 ppm1      7.170 ppm2      5.150 CV     1
 ASSI { 1140}
   (( segid "SF1 " and resid 34   and name HN  ))
   (( segid "SF1 " and resid 27   and name HN  ))
      4.400     2.400     1.600 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.28094E-03 ppm1      9.652 ppm2      7.788 CV     1
 ASSI { 1141}
   (( segid "SF1 " and resid 31   and name HN  ))
   (( segid "SF1 " and resid 27   and name HN  ))
      4.500     2.500     1.500 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.47398E-03 ppm1      9.643 ppm2      8.443 CV     1
 ASSI { 1143}
   (( segid "SF1 " and resid 33   and name HN  ))
   (( segid "SF1 " and resid 27   and name HN  ))
      4.600     2.700     1.400 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.22880E-03 ppm1      9.658 ppm2      8.878 CV     1
 ASSI { 1144}
   (( segid "SF1 " and resid 31   and name HA2 ))
   (( segid "SF1 " and resid 27   and name HN  ))
      3.700     1.700     1.700 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.48691E-03 ppm1      9.649 ppm2      3.780 CV     1
 ASSI { 1145}
   (( segid "SF1 " and resid 81   and name HA  ))
   (( segid "SF1 " and resid 82   and name HN  ))
      3.800     1.800     1.800 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.65494E-03 ppm1      9.844 ppm2      4.180 CV     1
 ASSI { 1146}
   (  segid "SF1 " and resid 89   and name HG2%)
   (( segid "SF1 " and resid 91   and name HN  ))
      4.900     3.000     1.100 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.25897E-03 ppm1      7.152 ppm2      1.228 CV     1
 ASSI { 1148}
   (( segid "SF1 " and resid 86   and name HG1 ))
   (( segid "SF1 " and resid 86   and name HN  ))
      3.600     1.600     1.600 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.29861E-02 ppm1      7.987 ppm2      1.476 CV     1
 OR { 1148}
   (( segid "SF1 " and resid 86   and name HG2 ))
   (( segid "SF1 " and resid 86   and name HN  ))
 ASSI { 1149}
   (( segid "SF1 " and resid 93   and name HB2 ))
   (( segid "SF1 " and resid 96   and name HN  ))
      3.000     1.100     1.100 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.36798E-02 ppm1      7.764 ppm2      1.474 CV     1
 OR { 1149}
   (( segid "SF1 " and resid 93   and name HG2 ))
   (( segid "SF1 " and resid 96   and name HN  ))
 ASSI { 1150}
   (( segid "SF1 " and resid 18   and name HN  ))
   (( segid "SF1 " and resid 20   and name HN  ))
      2.900     2.900     3.100 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.44382E-02 ppm1      7.859 ppm2      7.991 CV     1
 ASSI { 1151}
   (( segid "SF1 " and resid 24   and name HA  ))
   (( segid "SF1 " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.85745E-02 ppm1      8.184 ppm2      4.571 CV     1
 ASSI { 1155}
   (( segid "SF1 " and resid 108  and name HB2 ))
   (( segid "SF1 " and resid 109  and name HN  ))
      3.200     1.300     1.300 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.18528E-02 ppm1      8.205 ppm2      1.653 CV     1
 OR { 1155}
   (( segid "SF1 " and resid 108  and name HB1 ))
   (( segid "SF1 " and resid 109  and name HN  ))
 ASSI { 1156}
   (( segid "SF1 " and resid 116  and name HA  ))
   (( segid "SF1 " and resid 120  and name HN  ))
      3.600     1.700     1.700 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.74111E-03 ppm1      7.893 ppm2      4.426 CV     1
 ASSI { 1157}
   (( segid "SF1 " and resid 24   and name HB2 ))
   (( segid "SF1 " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.15168E-02 ppm1      8.012 ppm2      2.582 CV     1
 ASSI { 1158}
   (( segid "SF1 " and resid 56   and name HA  ))
   (( segid "SF1 " and resid 58   and name HN  ))
      4.300     2.300     1.700 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.27103E-03 ppm1      7.543 ppm2      3.841 CV     1
 ASSI { 1159}
   (( segid "SF1 " and resid 57   and name HB2 ))
   (( segid "SF1 " and resid 58   and name HN  ))
      3.400     1.500     1.500 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.83161E-03 ppm1      7.545 ppm2      2.380 CV     1
 ASSI { 1160}
   (( segid "SF1 " and resid 111  and name HB2 ))
   (( segid "SF1 " and resid 112  and name HN  ))
      2.900     1.100     1.100 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.13099E-02 ppm1      7.395 ppm2      1.768 CV     1
 ASSI { 1161}
   (( segid "SF1 " and resid 111  and name HG2 ))
   (( segid "SF1 " and resid 112  and name HN  ))
      3.900     1.900     1.900 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.53001E-03 ppm1      7.396 ppm2      1.881 CV     1
 ASSI { 1163}
   (  segid "SF1 " and resid 71   and name HG2%)
   (( segid "SF1 " and resid 76   and name HN  ))
      4.200     2.200     1.800 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.56876E-03 ppm1      7.975 ppm2      0.544 CV     1
 ASSI { 1164}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.15857E-02 ppm1      7.964 ppm2      2.380 CV     1
 OR { 1164}
   (( segid "SF1 " and resid 75   and name HG1 ))
   (( segid "SF1 " and resid 76   and name HN  ))
 OR { 1164}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 76   and name HN  ))
 ASSI { 1165}
   (( segid "SF1 " and resid 74   and name HA  ))
   (( segid "SF1 " and resid 76   and name HN  ))
      3.500     1.500     1.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.94363E-03 ppm1      7.969 ppm2      4.232 CV     1
 OR { 1165}
   (( segid "SF1 " and resid 74   and name HB  ))
   (( segid "SF1 " and resid 76   and name HN  ))
 ASSI { 1167}
   (( segid "SF1 " and resid 44   and name HA  ))
   (( segid "SF1 " and resid 44   and name HN  ))
      3.300     1.300     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.89625E-03 ppm1      8.841 ppm2      5.272 CV     1
 ASSI { 1168}
   (( segid "SF1 " and resid 27   and name HA  ))
   (( segid "SF1 " and resid 44   and name HN  ))
      3.900     1.900     1.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.86177E-03 ppm1      8.839 ppm2      4.260 CV     1
 ASSI { 1169}
   (( segid "SF1 " and resid 22   and name HA  ))
   (( segid "SF1 " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.32015E-02 ppm1      8.176 ppm2      4.372 CV     1
 ASSI { 1170}
   (( segid "SF1 " and resid 89   and name HA  ))
   (( segid "SF1 " and resid 88   and name HN  ))
      4.200     2.200     1.800 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.11117E-02 ppm1      7.595 ppm2      3.863 CV     1
 ASSI { 1173}
   (( segid "SF1 " and resid 57   and name HN  ))
   (( segid "SF1 " and resid 57   and name HD22))
      4.600     2.600     1.400 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.54291E-03 ppm1      7.261 ppm2      6.796 CV     1
 ASSI { 1175}
   (( segid "SF1 " and resid 57   and name HB2 ))
   (( segid "SF1 " and resid 57   and name HD21))
      3.100     1.200     1.200 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.51706E-03 ppm1      7.752 ppm2      2.403 CV     1
 ASSI { 1176}
   (( segid "SF1 " and resid 57   and name HB1 ))
   (( segid "SF1 " and resid 57   and name HD21))
      4.000     2.000     2.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.66357E-03 ppm1      7.743 ppm2      2.826 CV     1
 ASSI { 1178}
   (( segid "SF1 " and resid 57   and name HB2 ))
   (( segid "SF1 " and resid 57   and name HD22))
      4.000     2.000     2.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.11246E-02 ppm1      7.262 ppm2      2.405 CV     1
 ASSI { 1179}
   (( segid "SF1 " and resid 53   and name HB1 ))
   (( segid "SF1 " and resid 57   and name HD22))
      4.100     2.100     1.900 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.50414E-03 ppm1      7.261 ppm2      1.722 CV     1
 OR { 1179}
   (( segid "SF1 " and resid 53   and name HB2 ))
   (( segid "SF1 " and resid 57   and name HD22))
 ASSI { 1182}
   (( segid "SF1 " and resid 53   and name HA  ))
   (( segid "SF1 " and resid 57   and name HD22))
      3.700     1.700     1.700 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.71095E-03 ppm1      7.261 ppm2      3.989 CV     1
 ASSI { 1183}
   (( segid "SF1 " and resid 81   and name HB2 ))
   (( segid "SF1 " and resid 62   and name HN  ))
      3.500     1.600     1.600 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.75406E-03 ppm1      8.695 ppm2      2.870 CV     1
 ASSI { 1184}
   (( segid "SF1 " and resid 32   and name HN  ))
   (( segid "SF1 " and resid 30   and name HN  ))
      4.600     2.700     1.400 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.52570E-03 ppm1      7.587 ppm2      8.654 CV     1
 ASSI { 1185}
   (( segid "SF1 " and resid 21   and name HG1 ))
   (( segid "SF1 " and resid 21   and name HE21))
      3.100     1.200     1.200 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.13228E-02 ppm1      7.449 ppm2      2.278 CV     1
 OR { 1185}
   (( segid "SF1 " and resid 21   and name HG2 ))
   (( segid "SF1 " and resid 21   and name HE21))
 ASSI { 1186}
   (( segid "SF1 " and resid 21   and name HG1 ))
   (( segid "SF1 " and resid 21   and name HE22))
      4.400     2.400     1.600 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.79286E-03 ppm1      6.793 ppm2      2.276 CV     1
 OR { 1186}
   (( segid "SF1 " and resid 21   and name HG2 ))
   (( segid "SF1 " and resid 21   and name HE22))
 ASSI { 1192}
   (( segid "SF1 " and resid 56   and name HB2 ))
   (( segid "SF1 " and resid 58   and name HD21))
      4.700     2.700     1.300 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.37057E-03 ppm1      7.492 ppm2      1.652 CV     1
 ASSI { 1194}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HE21))
      3.600     1.600     1.600 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.93936E-03 ppm1      7.537 ppm2      2.368 CV     1
 OR { 1194}
   (( segid "SF1 " and resid 75   and name HB1 ))
   (( segid "SF1 " and resid 75   and name HE21))
 ASSI { 1195}
   (( segid "SF1 " and resid 70   and name HB1 ))
   (( segid "SF1 " and resid 75   and name HE21))
      4.000     2.000     2.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.61619E-03 ppm1      7.537 ppm2      1.639 CV     1
 OR { 1195}
   (( segid "SF1 " and resid 70   and name HB2 ))
   (( segid "SF1 " and resid 75   and name HE21))
 ASSI { 1196}
   (( segid "SF1 " and resid 75   and name HG1 ))
   (( segid "SF1 " and resid 75   and name HE22))
      4.400     2.400     1.600 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.71526E-03 ppm1      6.717 ppm2      2.372 CV     1
 OR { 1196}
   (( segid "SF1 " and resid 75   and name HG2 ))
   (( segid "SF1 " and resid 75   and name HE22))
 ASSI { 1197}
   (( segid "SF1 " and resid 70   and name HB1 ))
   (( segid "SF1 " and resid 75   and name HE22))
      3.600     1.600     1.600 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.59034E-03 ppm1      6.714 ppm2      1.641 CV     1
 OR { 1197}
   (( segid "SF1 " and resid 70   and name HB2 ))
   (( segid "SF1 " and resid 75   and name HE22))
 ASSI { 1198}
   (( segid "SF1 " and resid 58   and name HA  ))
   (( segid "SF1 " and resid 58   and name HD21))
      5.000     3.100     1.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.16288E-03 ppm1      7.481 ppm2      4.128 CV     1
 ASSI { 1199}
   (( segid "SF1 " and resid 74   and name HB  ))
   (( segid "SF1 " and resid 75   and name HE21))
      4.700     2.800     1.300 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.31972E-03 ppm1      7.552 ppm2      4.216 CV     1
 OR { 1199}
   (( segid "SF1 " and resid 74   and name HA  ))
   (( segid "SF1 " and resid 75   and name HE21))
 ASSI { 1200}
   (  segid "SF1 " and resid 88   and name HD2%)
   (( segid "SF1 " and resid 85   and name HE21))
      3.400     1.400     1.400 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.34773E-03 ppm1      7.311 ppm2      0.589 CV     1
 ASSI { 1201}
   (  segid "SF1 " and resid 88   and name HD2%)
   (( segid "SF1 " and resid 85   and name HE22))
      4.000     2.000     2.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.31886E-03 ppm1      6.893 ppm2      0.592 CV     1
 ASSI { 1202}
   (( segid "SF1 " and resid 85   and name HB1 ))
   (( segid "SF1 " and resid 85   and name HE21))
      2.700     0.900     0.900 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.22751E-02 ppm1      7.306 ppm2      1.986 CV     1
 ASSI { 1203}
   (( segid "SF1 " and resid 85   and name HG1 ))
   (( segid "SF1 " and resid 85   and name HE21))
      3.700     1.700     1.700 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.62050E-03 ppm1      7.306 ppm2      2.135 CV     1
 ASSI { 1205}
   (( segid "SF1 " and resid 85   and name HB1 ))
   (( segid "SF1 " and resid 85   and name HE22))
      4.000     2.000     2.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.12841E-02 ppm1      6.893 ppm2      1.984 CV     1
 ASSI { 1206}
   (( segid "SF1 " and resid 56   and name HG2 ))
   (( segid "SF1 " and resid 56   and name HE22))
      4.200     2.200     1.800 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.81871E-03 ppm1      6.957 ppm2      2.140 CV     1
 ASSI { 1207}
   (( segid "SF1 " and resid 56   and name HG1 ))
   (( segid "SF1 " and resid 56   and name HE22))
      4.900     3.100     1.100 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.32963E-03 ppm1      6.950 ppm2      2.602 CV     1
 ASSI { 1212}
   (( segid "SF1 " and resid 17   and name HB1 ))
   (( segid "SF1 " and resid 17   and name HD22))
      4.300     2.300     1.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.81007E-03 ppm1      6.855 ppm2      2.782 CV     1
 ASSI { 1213}
   (( segid "SF1 " and resid 23   and name HB1 ))
   (( segid "SF1 " and resid 23   and name HD22))
      4.300     2.300     1.700 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.82302E-03 ppm1      6.773 ppm2      2.803 CV     1
 ASSI { 1214}
   (( segid "SF1 " and resid 23   and name HB2 ))
   (( segid "SF1 " and resid 23   and name HD22))
      4.000     2.000     2.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.12453E-02 ppm1      6.773 ppm2      2.701 CV     1
 ASSI { 1215}
   (( segid "SF1 " and resid 17   and name HB2 ))
   (( segid "SF1 " and resid 17   and name HD22))
      4.100     2.200     1.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.10040E-02 ppm1      6.852 ppm2      2.697 CV     1
 ASSI { 1216}
   (( segid "SF1 " and resid 98   and name HA  ))
   (( segid "SF1 " and resid 100  and name HN  ))
      3.500     1.500     1.500 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.14607E-02 ppm1      7.957 ppm2      4.270 CV     1
 ASSI { 1220}
   (( segid "SF1 " and resid 27   and name HB2 ))
   (( segid "SF1 " and resid 31   and name HN  ))
      3.300     1.400     1.400 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.22191E-02 ppm1      8.449 ppm2      2.805 CV     1
 ASSI { 1221}
   (( segid "SF1 " and resid 29   and name HB  ))
   (( segid "SF1 " and resid 31   and name HN  ))
      4.000     2.000     2.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.96953E-03 ppm1      8.455 ppm2      2.985 CV     1
 ASSI { 1222}
   (( segid "SF1 " and resid 27   and name HB1 ))
   (( segid "SF1 " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.20855E-02 ppm1      8.458 ppm2      3.272 CV     1
 ASSI { 1223}
   (( segid "SF1 " and resid 31   and name HA2 ))
   (( segid "SF1 " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.42702E-02 ppm1      8.445 ppm2      3.762 CV     1
 ASSI { 1224}
   (( segid "SF1 " and resid 31   and name HA1 ))
   (( segid "SF1 " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.46967E-02 ppm1      8.450 ppm2      4.241 CV     1
 ASSI { 1225}
   (( segid "SF1 " and resid 28   and name HA  ))
   (( segid "SF1 " and resid 31   and name HN  ))
      4.200     2.200     1.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.75406E-03 ppm1      8.439 ppm2      4.450 CV     1
 OR { 1225}
   (( segid "SF1 " and resid 28   and name HD1 ))
   (( segid "SF1 " and resid 31   and name HN  ))
 ASSI { 1226}
   (( segid "SF1 " and resid 30   and name HA  ))
   (( segid "SF1 " and resid 31   and name HN  ))
      3.500     1.600     1.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.81871E-03 ppm1      8.454 ppm2      4.889 CV     1
 ASSI { 1228}
   (( segid "SF1 " and resid 121  and name HG2 ))
   (( segid "SF1 " and resid 121  and name HE21))
      3.200     1.300     1.300 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.84024E-03 ppm1      7.388 ppm2      2.385 CV     1
 ASSI { 1231}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 122  and name HE21))
      4.000     2.000     2.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.30119E-03 ppm1      7.432 ppm2      0.867 CV     1
 OR { 1231}
   (  segid "SF1 " and resid 119  and name HD2%)
   (( segid "SF1 " and resid 122  and name HE21))
 ASSI { 1232}
   (  segid "SF1 " and resid 26   and name HD1%)
   (( segid "SF1 " and resid 31   and name HN  ))
      4.100     2.100     1.900 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.64204E-03 ppm1      8.455 ppm2      0.913 CV     1
 ASSI { 1237}
   (( segid "SF1 " and resid 67   and name HB1 ))
   (( segid "SF1 " and resid 67   and name HE21))
      3.700     1.700     1.700 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.67220E-03 ppm1      7.016 ppm2      2.408 CV     1
 ASSI { 1238}
   (( segid "SF1 " and resid 67   and name HB1 ))
   (( segid "SF1 " and resid 67   and name HE22))
      4.400     2.400     1.600 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.69373E-03 ppm1      6.630 ppm2      2.396 CV     1
 OR { 1238}
   (( segid "SF1 " and resid 67   and name HB2 ))
   (( segid "SF1 " and resid 67   and name HE22))
 ASSI { 1239}
   (  segid "SF1 " and resid 81   and name HE% )
   (( segid "SF1 " and resid 67   and name HE21))
      3.800     1.800     1.800 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.63772E-03 ppm1      7.012 ppm2      7.399 CV     1
 ASSI { 1240}
   (  segid "SF1 " and resid 81   and name HE% )
   (( segid "SF1 " and resid 67   and name HE22))
      4.100     2.100     1.900 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.54723E-03 ppm1      6.630 ppm2      7.414 CV     1
 ASSI { 1242}
   (( segid "SF1 " and resid 32   and name HN  ))
   (( segid "SF1 " and resid 31   and name HN  ))
      2.900     1.000     1.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.20123E-02 ppm1      8.449 ppm2      8.660 CV     1
 ASSI { 1243}
   (( segid "SF1 " and resid 29   and name HN  ))
   (( segid "SF1 " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.52570E-03 ppm1      8.443 ppm2      8.830 CV     1
 ASSI { 1245}
   (( segid "SF1 " and resid 42   and name HG  ))
   (( segid "SF1 " and resid 43   and name HN  ))
      3.300     3.300     2.700 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.41883E-03 ppm1      8.007 ppm2      1.122 CV     1
 ASSI { 1249}
   (  segid "SF1 " and resid 51   and name HD% )
   (( segid "SF1 " and resid 51   and name HN  ))
      5.100     3.200     0.900 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.40332E-03 ppm1      9.095 ppm2      7.104 CV     1
 ASSI { 1251}
   (( segid "SF1 " and resid 121  and name HG1 ))
   (( segid "SF1 " and resid 121  and name HE21))
      3.800     1.800     1.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.67652E-03 ppm1      7.389 ppm2      2.452 CV     1
 ASSI { 1255}
   (( segid "SF1 " and resid 39   and name HA  ))
   (( segid "SF1 " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.54291E-03 ppm1      8.371 ppm2      3.655 CV     1
 ASSI { 1256}
   (  segid "SF1 " and resid 113  and name HE% )
   (( segid "SF1 " and resid 40   and name HN  ))
      4.000     2.000     2.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.42960E-03 ppm1      8.372 ppm2      6.487 CV     1
 ASSI { 1259}
   (  segid "SF1 " and resid 109  and name HD% )
   (( segid "SF1 " and resid 109  and name HN  ))
      3.300     1.400     1.400 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.99538E-03 ppm1      8.223 ppm2      7.117 CV     1
 ASSI { 1260}
   (( segid "SF1 " and resid 79   and name HA  ))
   (( segid "SF1 " and resid 81   and name HN  ))
      4.900     3.000     1.100 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.24432E-03 ppm1      8.531 ppm2      4.986 CV     1
 ASSI { 1263}
   (( segid "SF1 " and resid 88   and name HA  ))
   (( segid "SF1 " and resid 92   and name HN  ))
      2.900     1.000     1.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.22708E-02 ppm1      8.004 ppm2      4.175 CV     1
 ASSI { 1265}
   (  segid "SF1 " and resid 119  and name HD1%)
   (( segid "SF1 " and resid 122  and name HE22))
      4.300     2.300     1.700 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.17839E-03 ppm1      6.775 ppm2      0.880 CV     1
 OR { 1265}
   (  segid "SF1 " and resid 119  and name HD2%)
   (( segid "SF1 " and resid 122  and name HE22))
 ASSI { 1266}
   (( segid "SF1 " and resid 20   and name HB1 ))
   (( segid "SF1 " and resid 21   and name HN  ))
      3.400     1.400     1.400 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.15598E-02 ppm1      8.129 ppm2      3.082 CV     1
 ASSI { 1267}
   (( segid "SF1 " and resid 20   and name HB2 ))
   (( segid "SF1 " and resid 21   and name HN  ))
      3.500     1.500     1.500 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.14736E-02 ppm1      8.129 ppm2      2.982 CV     1
 ASSI { 1268}
   (( segid "SF1 " and resid 20   and name HB1 ))
   (( segid "SF1 " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.47398E-02 ppm1      7.856 ppm2      3.082 CV     1
 ASSI { 1269}
   (( segid "SF1 " and resid 118  and name HN  ))
   (( segid "SF1 " and resid 117  and name HN  ))
      2.500     0.800     0.800 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.39470E-02 ppm1      8.267 ppm2      7.768 CV     1
 ASSI { 1271}
   (( segid "SF1 " and resid 119  and name HN  ))
   (( segid "SF1 " and resid 117  and name HN  ))
      3.600     1.600     1.600 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.13271E-02 ppm1      8.267 ppm2      7.945 CV     1
 ASSI { 1273}
   (( segid "SF1 " and resid 80   and name HD2 ))
   (( segid "SF1 " and resid 81   and name HN  ))
      3.100     1.200     1.200 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.71095E-03 ppm1      8.527 ppm2      3.209 CV     1
 ASSI { 1274}
   (( segid "SF1 " and resid 54   and name HB  ))
   (( segid "SF1 " and resid 56   and name HN  ))
      4.800     2.900     1.200 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.44382E-03 ppm1      8.840 ppm2      3.511 CV     1
 ASSI { 1275}
   (( segid "SF1 " and resid 45   and name HG2 ))
   (( segid "SF1 " and resid 45   and name HN  ))
      3.800     1.800     1.800 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.89625E-03 ppm1      9.189 ppm2      2.179 CV     1
 ASSI { 1277}
   (( segid "SF1 " and resid 43   and name HG1 ))
   (( segid "SF1 " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.96953E-03 ppm1      8.022 ppm2      4.305 CV     1
 ASSI { 1278}
   (  segid "SF1 " and resid 43   and name HG2%)
   (( segid "SF1 " and resid 38   and name HN  ))
      3.200     1.300     1.300 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.49122E-03 ppm1      9.207 ppm2      1.353 CV     1
 ASSI { 1279}
   (  segid "SF1 " and resid 34   and name HG2%)
   (( segid "SF1 " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.54723E-02 ppm1      7.785 ppm2      0.625 CV     1
 ASSI { 1282}
   (( segid "SF1 " and resid 98   and name HD2 ))
   (( segid "SF1 " and resid 102  and name HN  ))
      4.200     2.200     1.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.43951E-03 ppm1      7.296 ppm2      3.367 CV     1
 ASSI { 1283}
   (( segid "SF1 " and resid 100  and name HB1 ))
   (( segid "SF1 " and resid 102  and name HN  ))
      5.100     3.200     0.900 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.16072E-03 ppm1      7.290 ppm2      2.987 CV     1
 ASSI { 1284}
   (( segid "SF1 " and resid 98   and name HD1 ))
   (( segid "SF1 " and resid 102  and name HN  ))
      5.000     3.100     1.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.13530E-03 ppm1      7.294 ppm2      3.472 CV     1
 ASSI { 1287}
   (( segid "SF1 " and resid 100  and name HN  ))
   (( segid "SF1 " and resid 102  and name HN  ))
      5.100     3.200     0.900 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.19649E-03 ppm1      7.300 ppm2      7.958 CV     1
 ASSI { 1291}
   (  segid "SF1 " and resid 54   and name HG2%)
   (( segid "SF1 " and resid 58   and name HN  ))
      4.900     3.000     1.100 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.19907E-03 ppm1      7.542 ppm2     -0.141 CV     1
 ASSI { 1293}
   (( segid "SF1 " and resid 53   and name HD2 ))
   (( segid "SF1 " and resid 53   and name HN  ))
      4.900     3.000     1.100 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.39728E-03 ppm1      8.050 ppm2      3.159 CV     1
 OR { 1293}
   (( segid "SF1 " and resid 53   and name HD1 ))
   (( segid "SF1 " and resid 53   and name HN  ))
 ASSI {    4}
   (( segid "SBS " and resid 16   and name H6  ))
   (( segid "SBS " and resid 16   and name H2' ))
      1.700     0.400     0.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.11779E-01 ppm1      7.806 ppm2      2.131 CV     1
 ASSI {    5}
   (( segid "SBS " and resid 16   and name H6  ))
   (  segid "SBS " and resid 17   and name H7% )
      2.800     1.000     1.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.60776E-02 ppm1      7.802 ppm2      1.688 CV     1
 ASSI {    6}
   (( segid "SBS " and resid 18   and name H8  ))
   (  segid "SBS " and resid 19   and name H7% )
      2.700     0.900     0.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.56053E-02 ppm1      7.840 ppm2      0.991 CV     1
 ASSI {   11}
   (( segid "SBS " and resid 23   and name H6  ))
   (( segid "SBS " and resid 23   and name H2' ))
      1.700     0.400     0.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.15133E-01 ppm1      7.434 ppm2      2.101 CV     1
 ASSI {   13}
   (( segid "SBS " and resid 17   and name H6  ))
   (  segid "SBS " and resid 17   and name H7% )
      2.200     0.600     0.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.12349E-01 ppm1      7.509 ppm2      1.686 CV     1
 ASSI {   14}
   (( segid "SBS " and resid 11   and name H6  ))
   (( segid "SBS " and resid 11   and name H2' ))
      1.800     0.400     0.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.76996E-02 ppm1      7.487 ppm2      2.059 CV     1
 ASSI {   15}
   (( segid "SBS " and resid 18   and name H8  ))
   (( segid "SBS " and resid 17   and name H2' ))
      3.700     1.700     1.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.28208E-02 ppm1      7.839 ppm2      2.285 CV     1
 ASSI {   20}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 19   and name H2' ))
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.14285E-02 ppm1      6.546 ppm2      1.438 CV     1
 ASSI {   21}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 19   and name H2''))
      4.300     2.300     1.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.15133E-02 ppm1      6.546 ppm2      2.333 CV     1
 ASSI {   22}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 18   and name H2' ))
      4.200     2.200     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.13317E-02 ppm1      6.544 ppm2      2.563 CV     1
 ASSI {   23}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 18   and name H2''))
      2.500     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.17796E-02 ppm1      6.546 ppm2      2.760 CV     1
 ASSI {   27}
   (( segid "SBS " and resid 18   and name H8  ))
   (( segid "SBS " and resid 18   and name H2''))
      3.200     1.300     1.300 peak    27 spectrum    1 weight  0.10000E+01 volume  0.76635E-02 ppm1      7.844 ppm2      2.749 CV     1
 ASSI {   30}
   (( segid "SBS " and resid 30   and name H6  ))
   (( segid "SBS " and resid 30   and name H5  ))
      2.100     0.500     0.500 peak    30 spectrum    1 weight  0.10000E+01 volume  0.11404E-01 ppm1      7.555 ppm2      5.702 CV     1
 ASSI {   31}
   (( segid "SBS " and resid 11   and name H6  ))
   (( segid "SBS " and resid 11   and name H5  ))
      2.100     0.600     0.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.98786E-02 ppm1      7.487 ppm2      5.605 CV     1
 ASSI {   32}
   (( segid "SBS " and resid 23   and name H6  ))
   (( segid "SBS " and resid 23   and name H5  ))
      2.100     0.500     0.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.11816E-01 ppm1      7.428 ppm2      5.368 CV     1
 ASSI {   33}
   (( segid "SBS " and resid 22   and name H6  ))
   (( segid "SBS " and resid 22   and name H5  ))
      2.000     0.500     0.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.13317E-01 ppm1      7.348 ppm2      5.161 CV     1
 ASSI {   34}
   (( segid "SBS " and resid 10   and name H6  ))
   (( segid "SBS " and resid 10   and name H5  ))
      2.100     0.600     0.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.89828E-02 ppm1      7.268 ppm2      5.095 CV     1
 ASSI {   35}
   (( segid "SBS " and resid 29   and name H6  ))
   (( segid "SBS " and resid 29   and name H5  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.83531E-02 ppm1      7.255 ppm2      5.328 CV     1
 ASSI {   36}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 13   and name H5  ))
      2.200     0.600     0.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.78570E-02 ppm1      7.100 ppm2      5.311 CV     1
 ASSI {   39}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 14   and name H1' ))
      3.100     1.200     1.200 peak    39 spectrum    1 weight  0.10000E+01 volume  0.47941E-02 ppm1      8.060 ppm2      5.984 CV     1
 ASSI {   40}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 13   and name H1' ))
      3.100     1.200     1.200 peak    40 spectrum    1 weight  0.10000E+01 volume  0.15981E-02 ppm1      8.061 ppm2      5.427 CV     1
 ASSI {   41}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 14   and name H3' ))
      3.700     1.700     1.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.49394E-02 ppm1      8.064 ppm2      4.951 CV     1
 ASSI {   42}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 14   and name H4' ))
      4.200     2.200     1.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.15617E-02 ppm1      8.063 ppm2      4.253 CV     1
 ASSI {   43}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 14   and name H5''))
      4.000     2.000     2.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.21912E-02 ppm1      8.061 ppm2      4.044 CV     1
 ASSI {   45}
   (( segid "SBS " and resid 18   and name H8  ))
   (( segid "SBS " and resid 18   and name H1' ))
      3.400     1.500     1.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.23244E-02 ppm1      7.839 ppm2      6.058 CV     1
 ASSI {   46}
   (( segid "SBS " and resid 18   and name H8  ))
   (( segid "SBS " and resid 17   and name H1' ))
      2.800     1.000     1.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.27844E-02 ppm1      7.842 ppm2      5.794 CV     1
 ASSI {   47}
   (( segid "SBS " and resid 18   and name H8  ))
   (( segid "SBS " and resid 18   and name H3' ))
      3.900     1.900     1.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.30508E-02 ppm1      7.841 ppm2      5.035 CV     1
 ASSI {   48}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 13   and name H5  ))
      3.400     1.500     1.500 peak    48 spectrum    1 weight  0.10000E+01 volume  0.21428E-02 ppm1      8.285 ppm2      5.310 CV     1
 ASSI {   49}
   (( segid "SBS " and resid 12   and name H2  ))
   (( segid "SBS " and resid 13   and name H1' ))
      3.400     1.500     1.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.11489E-02 ppm1      7.780 ppm2      5.427 CV     1
 ASSI {   52}
   (( segid "SBS " and resid 23   and name H6  ))
   (( segid "SBS " and resid 23   and name H5' ))
      2.800     1.000     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.61502E-02 ppm1      7.426 ppm2      4.107 CV     1
 OR {   52}
   (( segid "SBS " and resid 23   and name H6  ))
   (( segid "SBS " and resid 23   and name H5''))
 ASSI {   56}
   (( segid "SBS " and resid 18   and name H8  ))
   (( segid "SBS " and resid 18   and name H5''))
      4.200     2.200     1.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.15133E-02 ppm1      7.840 ppm2      4.215 CV     1
 ASSI {   57}
   (( segid "SBS " and resid 18   and name H8  ))
   (( segid "SBS " and resid 18   and name H4' ))
      4.600     2.700     1.400 peak    57 spectrum    1 weight  0.10000E+01 volume  0.10448E-02 ppm1      7.840 ppm2      4.438 CV     1
 ASSI {   60}
   (( segid "SBS " and resid 30   and name H6  ))
   (( segid "SBS " and resid 30   and name H1' ))
      3.900     1.900     1.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.19128E-02 ppm1      7.559 ppm2      6.160 CV     1
 ASSI {   61}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 12   and name H1' ))
      3.300     1.400     1.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.31718E-02 ppm1      8.285 ppm2      6.314 CV     1
 ASSI {   63}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 13   and name H6  ))
      4.800     2.900     1.200 peak    63 spectrum    1 weight  0.10000E+01 volume  0.15981E-02 ppm1      8.288 ppm2      7.104 CV     1
 ASSI {   64}
   (( segid "SBS " and resid 18   and name H8  ))
   (( segid "SBS " and resid 19   and name H6  ))
      5.400     3.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.80870E-03 ppm1      7.841 ppm2      6.546 CV     1
 ASSI {   65}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 12   and name H1' ))
      2.800     1.000     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.22397E-02 ppm1      7.100 ppm2      6.317 CV     1
 ASSI {   68}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 18   and name H1' ))
      2.900     1.000     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.17917E-02 ppm1      6.545 ppm2      6.059 CV     1
 ASSI {   69}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 19   and name H1' ))
      4.000     2.000     2.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.10508E-02 ppm1      6.543 ppm2      5.837 CV     1
 ASSI {   70}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 19   and name H5' ))
      3.600     1.600     1.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.10436E-02 ppm1      6.547 ppm2      4.032 CV     1
 ASSI {   71}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 18   and name H4' ))
      3.200     3.200     2.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.49515E-03 ppm1      6.546 ppm2      4.432 CV     1
 ASSI {   73}
   (( segid "SBS " and resid 9    and name H8  ))
   (( segid "SBS " and resid 10   and name H5  ))
      3.800     1.800     1.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.12954E-02 ppm1      7.512 ppm2      5.100 CV     1
 ASSI {   74}
   (( segid "SBS " and resid 20   and name H8  ))
   (( segid "SBS " and resid 19   and name H1' ))
      3.600     1.600     1.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.58354E-03 ppm1      8.316 ppm2      5.840 CV     1
 ASSI {   76}
   (( segid "SBS " and resid 10   and name H6  ))
   (( segid "SBS " and resid 10   and name H1' ))
      3.200     1.300     1.300 peak    76 spectrum    1 weight  0.10000E+01 volume  0.48667E-02 ppm1      7.266 ppm2      5.963 CV     1
 OR {   76}
   (( segid "SBS " and resid 10   and name H6  ))
   (( segid "SBS " and resid 10   and name H41 ))
 ASSI {   79}
   (( segid "SBS " and resid 23   and name H6  ))
   (( segid "SBS " and resid 23   and name H1' ))
      3.100     1.200     1.200 peak    79 spectrum    1 weight  0.10000E+01 volume  0.43340E-02 ppm1      7.431 ppm2      5.824 CV     1
 ASSI {   89}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 13   and name H1' ))
      3.600     1.700     1.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.18038E-02 ppm1      7.100 ppm2      5.429 CV     1
 ASSI {   90}
   (( segid "SBS " and resid 12   and name H2  ))
   (( segid "SBS " and resid 12   and name H1' ))
      4.400     2.400     1.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.27844E-03 ppm1      7.779 ppm2      6.313 CV     1
 ASSI {  112}
   (( segid "SBS " and resid 19   and name H3  ))
   (( segid "SBS " and resid 12   and name H2  ))
      2.800     1.000     1.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.56414E-02 ppm1     14.224 ppm2      7.782 CV     1
 ASSI {  114}
   (( segid "SBS " and resid 25   and name H3  ))
   (( segid "SBS " and resid 6    and name H2  ))
      3.400     1.500     1.500 peak   114 spectrum    1 weight  0.10000E+01 volume  0.15012E-02 ppm1     13.729 ppm2      7.539 CV     1
 ASSI {  116}
   (( segid "SBS " and resid 4    and name H3  ))
   (( segid "SBS " and resid 27   and name H2  ))
      3.300     1.400     1.400 peak   116 spectrum    1 weight  0.10000E+01 volume  0.18401E-02 ppm1     13.473 ppm2      7.659 CV     1
 ASSI {  117}
   (( segid "SBS " and resid 7    and name H1  ))
   (( segid "SBS " and resid 7    and name H22 ))
      3.300     1.300     1.300 peak   117 spectrum    1 weight  0.10000E+01 volume  0.13075E-02 ppm1     13.353 ppm2      6.806 CV     1
 OR {  117}
   (( segid "SBS " and resid 7    and name H1  ))
   (( segid "SBS " and resid 7    and name H21 ))
 ASSI {  118}
   (( segid "SBS " and resid 7    and name H1  ))
   (( segid "SBS " and resid 24   and name H1' ))
      4.700     2.800     1.300 peak   118 spectrum    1 weight  0.10000E+01 volume  0.21549E-03 ppm1     13.346 ppm2      6.052 CV     1
 ASSI {  119}
   (( segid "SBS " and resid 7    and name H1  ))
   (( segid "SBS " and resid 24   and name H42 ))
      2.900     1.000     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.19491E-02 ppm1     13.354 ppm2      8.146 CV     1
 ASSI {  120}
   (( segid "SBS " and resid 7    and name H1  ))
   (( segid "SBS " and resid 24   and name H41 ))
      4.400     2.400     1.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.21307E-02 ppm1     13.356 ppm2      6.920 CV     1
 ASSI {  131}
   (( segid "SBS " and resid 21   and name H1  ))
   (( segid "SBS " and resid 20   and name H1  ))
      3.300     1.400     1.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.13680E-02 ppm1     12.784 ppm2     12.973 CV     1
 ASSI {  133}
   (( segid "SBS " and resid 20   and name H1  ))
   (( segid "SBS " and resid 19   and name H3  ))
      4.000     2.000     2.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.66463E-03 ppm1     12.971 ppm2     14.228 CV     1
 ASSI {  134}
   (( segid "SBS " and resid 26   and name H1  ))
   (( segid "SBS " and resid 25   and name H3  ))
      4.700     2.700     1.300 peak   134 spectrum    1 weight  0.10000E+01 volume  0.24939E-03 ppm1     12.794 ppm2     13.735 CV     1
 ASSI {  136}
   (( segid "SBS " and resid 18   and name H1  ))
   (( segid "SBS " and resid 19   and name H3  ))
      4.100     2.100     1.900 peak   136 spectrum    1 weight  0.10000E+01 volume  0.51209E-03 ppm1     12.573 ppm2     14.227 CV     1
 ASSI {  137}
   (( segid "SBS " and resid 8    and name H1  ))
   (( segid "SBS " and resid 9    and name H1  ))
      3.500     1.600     1.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.89828E-03 ppm1     12.663 ppm2     12.887 CV     1
 ASSI {  138}
   (( segid "SBS " and resid 8    and name H1  ))
   (( segid "SBS " and resid 7    and name H1  ))
      3.900     1.900     1.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.49394E-03 ppm1     12.657 ppm2     13.349 CV     1
 ASSI {  141}
   (( segid "SBS " and resid 7    and name H1  ))
   (( segid "SBS " and resid 25   and name H3  ))
      4.500     2.500     1.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.24939E-03 ppm1     13.349 ppm2     13.739 CV     1
 ASSI {  150}
   (( segid "SBS " and resid 7    and name H1  ))
   (( segid "SBS " and resid 24   and name H5  ))
      4.900     2.900     1.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.79778E-03 ppm1     13.355 ppm2      5.562 CV     1
 ASSI {  151}
   (( segid "SBS " and resid 20   and name H1  ))
   (( segid "SBS " and resid 11   and name H42 ))
      2.800     1.000     1.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.21307E-02 ppm1     12.971 ppm2      8.310 CV     1
 ASSI {  152}
   (( segid "SBS " and resid 19   and name H3  ))
   (( segid "SBS " and resid 13   and name H42 ))
      5.100     3.200     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.19491E-03 ppm1     14.224 ppm2      8.197 CV     1
 ASSI {  153}
   (( segid "SBS " and resid 20   and name H1  ))
   (( segid "SBS " and resid 12   and name H2  ))
      3.900     1.900     1.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.10109E-02 ppm1     12.972 ppm2      7.784 CV     1
 ASSI {  155}
   (( segid "SBS " and resid 9    and name H1  ))
   (( segid "SBS " and resid 22   and name H42 ))
      2.700     0.900     0.900 peak   155 spectrum    1 weight  0.10000E+01 volume  0.27360E-02 ppm1     12.882 ppm2      8.024 CV     1
 ASSI {  156}
   (( segid "SBS " and resid 9    and name H1  ))
   (( segid "SBS " and resid 22   and name H41 ))
      4.800     2.800     1.200 peak   156 spectrum    1 weight  0.10000E+01 volume  0.10884E-02 ppm1     12.879 ppm2      7.701 CV     1
 ASSI {  157}
   (( segid "SBS " and resid 21   and name H1  ))
   (( segid "SBS " and resid 10   and name H42 ))
      2.900     1.100     1.100 peak   157 spectrum    1 weight  0.10000E+01 volume  0.16949E-02 ppm1     12.785 ppm2      7.939 CV     1
 ASSI {  160}
   (( segid "SBS " and resid 26   and name H1  ))
   (( segid "SBS " and resid 6    and name H2  ))
      4.700     2.700     1.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.32445E-03 ppm1     12.795 ppm2      7.540 CV     1
 ASSI {  161}
   (( segid "SBS " and resid 18   and name H1  ))
   (( segid "SBS " and resid 13   and name H42 ))
      2.900     1.000     1.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.20702E-02 ppm1     12.578 ppm2      8.205 CV     1
 ASSI {  162}
   (( segid "SBS " and resid 18   and name H1  ))
   (( segid "SBS " and resid 12   and name H2  ))
      4.400     2.400     1.600 peak   162 spectrum    1 weight  0.10000E+01 volume  0.45278E-03 ppm1     12.578 ppm2      7.784 CV     1
 ASSI {  163}
   (( segid "SBS " and resid 18   and name H1  ))
   (( segid "SBS " and resid 14   and name H2  ))
      4.300     2.300     1.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.57384E-03 ppm1     12.578 ppm2      7.634 CV     1
 ASSI {  164}
   (( segid "SBS " and resid 8    and name H1  ))
   (( segid "SBS " and resid 22   and name H42 ))
      5.000     3.100     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.19733E-03 ppm1     12.655 ppm2      8.028 CV     1
 ASSI {  165}
   (( segid "SBS " and resid 8    and name H1  ))
   (( segid "SBS " and resid 22   and name H41 ))
      6.000     4.400     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.21065E-03 ppm1     12.659 ppm2      7.706 CV     1
 ASSI {  166}
   (( segid "SBS " and resid 21   and name H1  ))
   (( segid "SBS " and resid 11   and name H42 ))
      4.500     2.500     1.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.24213E-03 ppm1     12.780 ppm2      8.315 CV     1
 ASSI {  167}
   (( segid "SBS " and resid 8    and name H1  ))
   (( segid "SBS " and resid 23   and name H42 ))
      3.200     1.300     1.300 peak   167 spectrum    1 weight  0.10000E+01 volume  0.97821E-03 ppm1     12.659 ppm2      7.784 CV     1
 ASSI {  168}
   (( segid "SBS " and resid 7    and name H1  ))
   (( segid "SBS " and resid 23   and name H41 ))
      5.100     3.300     0.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.43704E-03 ppm1     13.355 ppm2      7.040 CV     1
 ASSI {  170}
   (( segid "SBS " and resid 20   and name H1  ))
   (( segid "SBS " and resid 11   and name H41 ))
      4.400     2.500     1.600 peak   170 spectrum    1 weight  0.10000E+01 volume  0.18280E-02 ppm1     12.970 ppm2      6.585 CV     1
 ASSI {  174}
   (( segid "SBS " and resid 8    and name H1  ))
   (( segid "SBS " and resid 24   and name H41 ))
      5.000     3.100     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.39345E-03 ppm1     12.655 ppm2      6.919 CV     1
 ASSI {  175}
   (( segid "SBS " and resid 8    and name H1  ))
   (( segid "SBS " and resid 23   and name H41 ))
      4.800     2.900     1.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.11344E-02 ppm1     12.661 ppm2      7.037 CV     1
 ASSI {  176}
   (( segid "SBS " and resid 9    and name H1  ))
   (( segid "SBS " and resid 23   and name H41 ))
      5.400     3.700     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.21912E-03 ppm1     12.881 ppm2      7.034 CV     1
 ASSI {  179}
   (( segid "SBS " and resid 9    and name H1  ))
   (( segid "SBS " and resid 23   and name H1' ))
      4.200     2.200     1.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.80022E-03 ppm1     12.881 ppm2      5.822 CV     1
 ASSI {  180}
   (( segid "SBS " and resid 21   and name H1  ))
   (( segid "SBS " and resid 10   and name H41 ))
      4.200     2.200     1.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.22155E-02 ppm1     12.785 ppm2      5.939 CV     1
 ASSI {  181}
   (( segid "SBS " and resid 21   and name H1  ))
   (( segid "SBS " and resid 11   and name H41 ))
      5.400     3.700     0.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.21670E-03 ppm1     12.783 ppm2      6.588 CV     1
 ASSI {  182}
   (( segid "SBS " and resid 26   and name H1  ))
   (( segid "SBS " and resid 5    and name H42 ))
      3.700     1.700     1.700 peak   182 spectrum    1 weight  0.10000E+01 volume  0.45156E-03 ppm1     12.804 ppm2      8.684 CV     1
 ASSI {  183}
   (( segid "SBS " and resid 8    and name H1  ))
   (( segid "SBS " and resid 24   and name H42 ))
      4.800     2.900     1.200 peak   183 spectrum    1 weight  0.10000E+01 volume  0.17433E-03 ppm1     12.659 ppm2      8.142 CV     1
 ASSI {  184}
   (( segid "SBS " and resid 18   and name H1  ))
   (( segid "SBS " and resid 13   and name H1' ))
      3.500     1.500     1.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.27844E-03 ppm1     12.577 ppm2      5.428 CV     1
 ASSI {  185}
   (( segid "SBS " and resid 18   and name H1  ))
   (( segid "SBS " and resid 13   and name H41 ))
      4.600     2.600     1.400 peak   185 spectrum    1 weight  0.10000E+01 volume  0.16465E-02 ppm1     12.578 ppm2      6.499 CV     1
 ASSI {  187}
   (( segid "SBS " and resid 20   and name H1  ))
   (( segid "SBS " and resid 11   and name H5  ))
      2.800     2.800     3.200 peak   187 spectrum    1 weight  0.10000E+01 volume  0.10751E-02 ppm1     12.972 ppm2      5.607 CV     1
 ASSI {  188}
   (( segid "SBS " and resid 18   and name H1  ))
   (( segid "SBS " and resid 13   and name H5  ))
      2.900     2.900     3.100 peak   188 spectrum    1 weight  0.10000E+01 volume  0.89468E-03 ppm1     12.581 ppm2      5.309 CV     1
 ASSI {  189}
   (( segid "SBS " and resid 8    and name H1  ))
   (( segid "SBS " and resid 23   and name H5  ))
      4.800     2.900     1.200 peak   189 spectrum    1 weight  0.10000E+01 volume  0.97578E-03 ppm1     12.660 ppm2      5.369 CV     1
 ASSI {  191}
   (( segid "SBS " and resid 27   and name H8  ))
   (( segid "SBS " and resid 27   and name H1' ))
      4.200     2.200     1.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.80870E-03 ppm1      8.220 ppm2      6.087 CV     1
 ASSI {  192}
   (( segid "SBS " and resid 6    and name H8  ))
   (( segid "SBS " and resid 6    and name H1' ))
      4.000     2.000     2.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.10121E-02 ppm1      8.700 ppm2      6.052 CV     1
 ASSI {  193}
   (( segid "SBS " and resid 24   and name H41 ))
   (( segid "SBS " and resid 24   and name H5  ))
      2.700     0.900     0.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.30992E-02 ppm1      6.924 ppm2      5.561 CV     1
 ASSI {  194}
   (( segid "SBS " and resid 28   and name H8  ))
   (( segid "SBS " and resid 28   and name H1' ))
      4.100     2.100     1.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.90311E-03 ppm1      7.710 ppm2      5.663 CV     1
 ASSI {  195}
   (( segid "SBS " and resid 24   and name H42 ))
   (( segid "SBS " and resid 24   and name H5  ))
      4.100     2.100     1.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.23365E-02 ppm1      8.143 ppm2      5.563 CV     1
 ASSI {  196}
   (( segid "SBS " and resid 11   and name H42 ))
   (( segid "SBS " and resid 11   and name H5  ))
      4.000     2.000     2.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.24091E-02 ppm1      8.305 ppm2      5.602 CV     1
 ASSI {  198}
   (( segid "SBS " and resid 20   and name H8  ))
   (( segid "SBS " and resid 20   and name H1' ))
      3.600     1.600     1.600 peak   198 spectrum    1 weight  0.10000E+01 volume  0.18765E-02 ppm1      8.315 ppm2      5.165 CV     1
 ASSI {  199}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 12   and name H3' ))
      3.500     1.500     1.500 peak   199 spectrum    1 weight  0.10000E+01 volume  0.59440E-02 ppm1      8.286 ppm2      5.008 CV     1
 ASSI {  200}
   (( segid "SBS " and resid 27   and name H8  ))
   (( segid "SBS " and resid 27   and name H3' ))
      4.500     2.500     1.500 peak   200 spectrum    1 weight  0.10000E+01 volume  0.14528E-02 ppm1      8.224 ppm2      5.068 CV     1
 ASSI {  201}
   (( segid "SBS " and resid 22   and name H42 ))
   (( segid "SBS " and resid 22   and name H5  ))
      4.300     2.300     1.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.15254E-02 ppm1      8.024 ppm2      5.157 CV     1
 ASSI {  202}
   (( segid "SBS " and resid 10   and name H42 ))
   (( segid "SBS " and resid 10   and name H5  ))
      4.300     2.300     1.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.15617E-02 ppm1      7.940 ppm2      5.097 CV     1
 ASSI {  204}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 12   and name H3' ))
      5.000     3.200     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.89950E-03 ppm1      7.102 ppm2      5.010 CV     1
 ASSI {  206}
   (( segid "SBS " and resid 28   and name H8  ))
   (( segid "SBS " and resid 27   and name H1' ))
      3.400     1.400     1.400 peak   206 spectrum    1 weight  0.10000E+01 volume  0.93825E-03 ppm1      7.708 ppm2      6.076 CV     1
 ASSI {  207}
   (( segid "SBS " and resid 8    and name H8  ))
   (( segid "SBS " and resid 8    and name H3' ))
      4.300     2.300     1.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.16222E-02 ppm1      7.938 ppm2      4.837 CV     1
 ASSI {  208}
   (( segid "SBS " and resid 18   and name H8  ))
   (( segid "SBS " and resid 17   and name H3' ))
      4.500     2.500     1.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.23123E-02 ppm1      7.841 ppm2      4.895 CV     1
 ASSI {  209}
   (( segid "SBS " and resid 28   and name H8  ))
   (( segid "SBS " and resid 28   and name H3' ))
      4.400     2.400     1.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.15738E-02 ppm1      7.709 ppm2      4.904 CV     1
 ASSI {  210}
   (( segid "SBS " and resid 15   and name H8  ))
   (( segid "SBS " and resid 14   and name H3' ))
      5.200     3.300     0.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.11077E-02 ppm1      7.609 ppm2      4.946 CV     1
 ASSI {  216}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 12   and name H4' ))
      4.300     2.300     1.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.17917E-02 ppm1      8.287 ppm2      4.385 CV     1
 ASSI {  217}
   (( segid "SBS " and resid 20   and name H8  ))
   (( segid "SBS " and resid 20   and name H5' ))
      4.100     2.100     1.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.93581E-03 ppm1      8.313 ppm2      4.259 CV     1
 OR {  217}
   (( segid "SBS " and resid 20   and name H8  ))
   (( segid "SBS " and resid 20   and name H5''))
 ASSI {  219}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 12   and name H5' ))
      3.500     1.500     1.500 peak   219 spectrum    1 weight  0.10000E+01 volume  0.19491E-02 ppm1      8.286 ppm2      3.936 CV     1
 ASSI {  220}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 14   and name H5' ))
      4.000     2.000     2.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.85471E-03 ppm1      8.062 ppm2      3.934 CV     1
 ASSI {  221}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 13   and name H5' ))
      3.500     1.600     1.600 peak   221 spectrum    1 weight  0.10000E+01 volume  0.19370E-02 ppm1      7.101 ppm2      4.032 CV     1
 OR {  221}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 13   and name H5''))
 ASSI {  223}
   (( segid "SBS " and resid 30   and name H6  ))
   (( segid "SBS " and resid 30   and name H3' ))
      3.600     1.600     1.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.43946E-02 ppm1      7.559 ppm2      4.458 CV     1
 ASSI {  225}
   (( segid "SBS " and resid 30   and name H6  ))
   (( segid "SBS " and resid 30   and name H4' ))
      3.900     1.900     1.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.24939E-02 ppm1      7.559 ppm2      3.955 CV     1
 ASSI {  228}
   (( segid "SBS " and resid 29   and name H6  ))
   (( segid "SBS " and resid 29   and name H5' ))
      3.100     1.200     1.200 peak   228 spectrum    1 weight  0.10000E+01 volume  0.38861E-02 ppm1      7.261 ppm2      4.072 CV     1
 OR {  228}
   (( segid "SBS " and resid 29   and name H6  ))
   (( segid "SBS " and resid 29   and name H5''))
 ASSI {  232}
   (( segid "SBS " and resid 6    and name H8  ))
   (( segid "SBS " and resid 6    and name H5''))
      4.200     2.200     1.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.17312E-02 ppm1      8.696 ppm2      4.043 CV     1
 ASSI {  234}
   (( segid "SBS " and resid 6    and name H8  ))
   (( segid "SBS " and resid 6    and name H2''))
      3.800     1.800     1.800 peak   234 spectrum    1 weight  0.10000E+01 volume  0.35593E-02 ppm1      8.699 ppm2      3.147 CV     1
 ASSI {  235}
   (( segid "SBS " and resid 6    and name H8  ))
   (( segid "SBS " and resid 6    and name H2' ))
      2.700     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.16707E-02 ppm1      8.700 ppm2      3.058 CV     1
 ASSI {  236}
   (( segid "SBS " and resid 6    and name H8  ))
   (( segid "SBS " and resid 5    and name H2' ))
      4.400     2.400     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.11295E-02 ppm1      8.698 ppm2      2.098 CV     1
 ASSI {  237}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 13   and name H2''))
      2.200     0.600     0.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.50604E-02 ppm1      8.063 ppm2      2.155 CV     1
 ASSI {  238}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 14   and name H2' ))
      1.900     0.400     0.400 peak   238 spectrum    1 weight  0.10000E+01 volume  0.15375E-01 ppm1      8.063 ppm2      2.591 CV     1
 ASSI {  239}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 14   and name H2''))
      3.200     1.300     1.300 peak   239 spectrum    1 weight  0.10000E+01 volume  0.10448E-01 ppm1      8.062 ppm2      2.774 CV     1
 ASSI {  240}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 12   and name H2''))
      3.300     1.400     1.400 peak   240 spectrum    1 weight  0.10000E+01 volume  0.76269E-02 ppm1      8.286 ppm2      2.941 CV     1
 ASSI {  241}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 12   and name H2' ))
      2.000     0.500     0.500 peak   241 spectrum    1 weight  0.10000E+01 volume  0.10278E-01 ppm1      8.287 ppm2      2.801 CV     1
 ASSI {  242}
   (( segid "SBS " and resid 27   and name H8  ))
   (( segid "SBS " and resid 27   and name H2''))
      3.800     1.800     1.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.36319E-02 ppm1      8.218 ppm2      2.962 CV     1
 ASSI {  243}
   (( segid "SBS " and resid 27   and name H8  ))
   (( segid "SBS " and resid 27   and name H2' ))
      2.200     0.600     0.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.54113E-02 ppm1      8.214 ppm2      2.813 CV     1
 ASSI {  244}
   (( segid "SBS " and resid 27   and name H8  ))
   (( segid "SBS " and resid 26   and name H2''))
      2.300     0.700     0.700 peak   244 spectrum    1 weight  0.10000E+01 volume  0.46851E-02 ppm1      8.214 ppm2      2.632 CV     1
 ASSI {  246}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 11   and name H2' ))
      4.200     2.200     1.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.14406E-02 ppm1      8.286 ppm2      2.054 CV     1
 ASSI {  247}
   (( segid "SBS " and resid 20   and name H8  ))
   (( segid "SBS " and resid 19   and name H2' ))
      4.400     2.400     1.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.10327E-02 ppm1      8.316 ppm2      1.438 CV     1
 ASSI {  248}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 13   and name H2' ))
      3.700     1.700     1.700 peak   248 spectrum    1 weight  0.10000E+01 volume  0.33534E-02 ppm1      8.062 ppm2      1.730 CV     1
 ASSI {  250}
   (( segid "SBS " and resid 6    and name H8  ))
   (( segid "SBS " and resid 5    and name H2''))
      3.200     1.300     1.300 peak   250 spectrum    1 weight  0.10000E+01 volume  0.56292E-03 ppm1      8.698 ppm2      2.251 CV     1
 ASSI {  251}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 12   and name H2''))
      2.300     0.700     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.34503E-02 ppm1      7.101 ppm2      2.941 CV     1
 ASSI {  252}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 12   and name H2' ))
      3.800     1.800     1.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.27118E-02 ppm1      7.101 ppm2      2.798 CV     1
 ASSI {  253}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 13   and name H2''))
      3.600     1.600     1.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.44793E-02 ppm1      7.101 ppm2      2.156 CV     1
 ASSI {  254}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 13   and name H2' ))
      1.900     0.400     0.400 peak   254 spectrum    1 weight  0.10000E+01 volume  0.72156E-02 ppm1      7.101 ppm2      1.730 CV     1
 ASSI {  255}
   (( segid "SBS " and resid 8    and name H8  ))
   (( segid "SBS " and resid 8    and name H2''))
      3.900     1.900     1.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.23365E-02 ppm1      7.939 ppm2      2.913 CV     1
 ASSI {  259}
   (( segid "SBS " and resid 27   and name H8  ))
   (( segid "SBS " and resid 26   and name H2' ))
      4.700     2.800     1.300 peak   259 spectrum    1 weight  0.10000E+01 volume  0.83171E-03 ppm1      8.214 ppm2      2.311 CV     1
 ASSI {  260}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 11   and name H2''))
      2.300     0.700     0.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.39951E-02 ppm1      8.289 ppm2      2.247 CV     1
 ASSI {  261}
   (( segid "SBS " and resid 28   and name H8  ))
   (( segid "SBS " and resid 27   and name H2''))
      2.700     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.18280E-02 ppm1      7.710 ppm2      2.972 CV     1
 ASSI {  265}
   (( segid "SBS " and resid 15   and name H8  ))
   (( segid "SBS " and resid 14   and name H2''))
      2.400     0.700     0.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.41283E-02 ppm1      7.610 ppm2      2.778 CV     1
 ASSI {  269}
   (( segid "SBS " and resid 24   and name H6  ))
   (  segid "SBS " and resid 25   and name H7% )
      2.900     1.000     1.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.46246E-02 ppm1      7.610 ppm2      1.520 CV     1
 ASSI {  270}
   (( segid "SBS " and resid 7    and name H8  ))
   (( segid "SBS " and resid 6    and name H2' ))
      4.400     2.500     1.600 peak   270 spectrum    1 weight  0.10000E+01 volume  0.11271E-02 ppm1      7.495 ppm2      3.058 CV     1
 ASSI {  271}
   (( segid "SBS " and resid 7    and name H8  ))
   (( segid "SBS " and resid 6    and name H2''))
      3.100     1.200     1.200 peak   271 spectrum    1 weight  0.10000E+01 volume  0.73243E-03 ppm1      7.494 ppm2      3.149 CV     1
 ASSI {  277}
   (( segid "SBS " and resid 22   and name H6  ))
   (( segid "SBS " and resid 21   and name H2''))
      1.900     0.500     0.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.94429E-02 ppm1      7.344 ppm2      2.673 CV     1
 ASSI {  278}
   (( segid "SBS " and resid 22   and name H6  ))
   (( segid "SBS " and resid 22   and name H2''))
      2.800     1.000     1.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.18160E-01 ppm1      7.348 ppm2      2.454 CV     1
 ASSI {  279}
   (( segid "SBS " and resid 22   and name H6  ))
   (( segid "SBS " and resid 22   and name H2' ))
      1.800     0.400     0.400 peak   279 spectrum    1 weight  0.10000E+01 volume  0.10871E-01 ppm1      7.357 ppm2      2.190 CV     1
 ASSI {  280}
   (( segid "SBS " and resid 10   and name H6  ))
   (( segid "SBS " and resid 9    and name H2''))
      2.200     0.600     0.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.46246E-02 ppm1      7.267 ppm2      2.654 CV     1
 ASSI {  288}
   (( segid "SBS " and resid 22   and name H6  ))
   (( segid "SBS " and resid 22   and name H3' ))
      3.500     1.600     1.600 peak   288 spectrum    1 weight  0.10000E+01 volume  0.47941E-02 ppm1      7.356 ppm2      4.742 CV     1
 ASSI {  291}
   (( segid "SBS " and resid 15   and name H8  ))
   (( segid "SBS " and resid 15   and name H3' ))
      3.700     1.700     1.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.42130E-02 ppm1      7.608 ppm2      4.782 CV     1
 ASSI {  293}
   (( segid "SBS " and resid 12   and name H8  ))
   (( segid "SBS " and resid 11   and name H3' ))
      4.800     2.900     1.200 peak   293 spectrum    1 weight  0.10000E+01 volume  0.16222E-02 ppm1      8.289 ppm2      4.764 CV     1
 ASSI {  294}
   (( segid "SBS " and resid 6    and name H8  ))
   (( segid "SBS " and resid 6    and name H4' ))
      5.500     3.800     0.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.35835E-03 ppm1      8.700 ppm2      4.410 CV     1
 ASSI {  296}
   (( segid "SBS " and resid 6    and name H8  ))
   (( segid "SBS " and resid 6    and name H5' ))
      4.200     2.200     1.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.63437E-03 ppm1      8.699 ppm2      3.639 CV     1
 ASSI {  297}
   (( segid "SBS " and resid 13   and name H6  ))
   (( segid "SBS " and resid 13   and name H4' ))
      4.700     2.800     1.300 peak   297 spectrum    1 weight  0.10000E+01 volume  0.93337E-03 ppm1      7.102 ppm2      4.238 CV     1
 ASSI {  299}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 19   and name H5''))
      4.600     2.700     1.400 peak   299 spectrum    1 weight  0.10000E+01 volume  0.65981E-03 ppm1      6.545 ppm2      4.357 CV     1
 ASSI {  300}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 20   and name H5' ))
      6.000     5.400     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.33050E-03 ppm1      6.545 ppm2      4.259 CV     1
 OR {  300}
   (( segid "SBS " and resid 19   and name H6  ))
   (( segid "SBS " and resid 20   and name H5''))
 ASSI {  301}
   (( segid "SBS " and resid 8    and name H8  ))
   (( segid "SBS " and resid 8    and name H5''))
      4.600     2.700     1.400 peak   301 spectrum    1 weight  0.10000E+01 volume  0.95399E-03 ppm1      7.937 ppm2      4.172 CV     1
 OR {  301}
   (( segid "SBS " and resid 8    and name H8  ))
   (( segid "SBS " and resid 8    and name H4' ))
 ASSI {  302}
   (( segid "SBS " and resid 8    and name H8  ))
   (( segid "SBS " and resid 8    and name H5' ))
      3.800     1.800     1.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.11029E-02 ppm1      7.939 ppm2      4.047 CV     1
 ASSI {  303}
   (( segid "SBS " and resid 11   and name H41 ))
   (( segid "SBS " and resid 11   and name H5  ))
      3.000     1.100     1.100 peak   303 spectrum    1 weight  0.10000E+01 volume  0.13922E-02 ppm1      6.584 ppm2      5.605 CV     1
 ASSI {  304}
   (( segid "SBS " and resid 13   and name H41 ))
   (( segid "SBS " and resid 13   and name H5  ))
      2.900     1.000     1.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.20823E-02 ppm1      6.498 ppm2      5.311 CV     1
 ASSI {  307}
   (( segid "SBS " and resid 12   and name H1' ))
   (( segid "SBS " and resid 12   and name H3' ))
      4.000     2.000     2.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.14165E-02 ppm1      6.313 ppm2      5.009 CV     1
 ASSI {  309}
   (( segid "SBS " and resid 14   and name H1' ))
   (( segid "SBS " and resid 14   and name H3' ))
      4.100     2.100     1.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.12034E-02 ppm1      5.987 ppm2      4.947 CV     1
 ASSI {  313}
   (( segid "SBS " and resid 15   and name H1' ))
   (( segid "SBS " and resid 15   and name H3' ))
      4.800     2.900     1.200 peak   313 spectrum    1 weight  0.10000E+01 volume  0.69246E-03 ppm1      6.058 ppm2      4.787 CV     1
 ASSI {  314}
   (( segid "SBS " and resid 9    and name H1' ))
   (( segid "SBS " and resid 9    and name H3' ))
      4.600     2.600     1.400 peak   314 spectrum    1 weight  0.10000E+01 volume  0.54601E-03 ppm1      5.857 ppm2      4.889 CV     1
 ASSI {  315}
   (( segid "SBS " and resid 17   and name H1' ))
   (( segid "SBS " and resid 17   and name H3' ))
      4.200     2.200     1.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.99634E-03 ppm1      5.785 ppm2      4.886 CV     1
 ASSI {  316}
   (( segid "SBS " and resid 12   and name H1' ))
   (( segid "SBS " and resid 12   and name H2''))
      2.400     0.700     0.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.32566E-02 ppm1      6.315 ppm2      2.942 CV     1
 ASSI {  317}
   (( segid "SBS " and resid 12   and name H1' ))
   (( segid "SBS " and resid 12   and name H2' ))
      3.100     1.200     1.200 peak   317 spectrum    1 weight  0.10000E+01 volume  0.24455E-02 ppm1      6.314 ppm2      2.800 CV     1
 ASSI {  318}
   (( segid "SBS " and resid 27   and name H1' ))
   (( segid "SBS " and resid 27   and name H2''))
      2.600     0.800     0.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.21549E-02 ppm1      6.076 ppm2      2.968 CV     1
 ASSI {  320}
   (( segid "SBS " and resid 14   and name H1' ))
   (( segid "SBS " and resid 14   and name H2''))
      2.200     0.600     0.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.66463E-02 ppm1      5.985 ppm2      2.775 CV     1
 ASSI {  321}
   (( segid "SBS " and resid 8    and name H1' ))
   (( segid "SBS " and resid 8    and name H2''))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.21670E-02 ppm1      5.983 ppm2      2.912 CV     1
 ASSI {  322}
   (( segid "SBS " and resid 30   and name H1' ))
   (( segid "SBS " and resid 30   and name H2''))
      2.400     0.700     0.700 peak   322 spectrum    1 weight  0.10000E+01 volume  0.97938E-02 ppm1      6.169 ppm2      2.202 CV     1
 OR {  322}
   (( segid "SBS " and resid 30   and name H1' ))
   (( segid "SBS " and resid 30   and name H2' ))
 ASSI {  324}
   (( segid "SBS " and resid 18   and name H1' ))
   (( segid "SBS " and resid 18   and name H2' ))
      2.900     1.100     1.100 peak   324 spectrum    1 weight  0.10000E+01 volume  0.33292E-02 ppm1      6.055 ppm2      2.563 CV     1
 ASSI {  325}
   (( segid "SBS " and resid 10   and name H1' ))
   (( segid "SBS " and resid 10   and name H2' ))
      3.100     1.200     1.200 peak   325 spectrum    1 weight  0.10000E+01 volume  0.25907E-02 ppm1      5.965 ppm2      1.901 CV     1
 ASSI {  326}
   (( segid "SBS " and resid 24   and name H1' ))
   (( segid "SBS " and resid 24   and name H2' ))
      3.200     1.300     1.300 peak   326 spectrum    1 weight  0.10000E+01 volume  0.18401E-02 ppm1      6.058 ppm2      2.122 CV     1
 ASSI {  328}
   (( segid "SBS " and resid 29   and name H1' ))
   (( segid "SBS " and resid 29   and name H2' ))
      3.000     1.200     1.200 peak   328 spectrum    1 weight  0.10000E+01 volume  0.25423E-02 ppm1      5.883 ppm2      2.001 CV     1
 ASSI {  329}
   (( segid "SBS " and resid 16   and name H1' ))
   (( segid "SBS " and resid 16   and name H2''))
      2.200     0.600     0.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.68038E-02 ppm1      5.906 ppm2      2.545 CV     1
 OR {  329}
   (( segid "SBS " and resid 16   and name H5  ))
   (( segid "SBS " and resid 16   and name H2''))
 ASSI {  331}
   (( segid "SBS " and resid 9    and name H1' ))
   (( segid "SBS " and resid 9    and name H2''))
      2.500     0.800     0.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.22760E-02 ppm1      5.859 ppm2      2.660 CV     1
 ASSI {  336}
   (( segid "SBS " and resid 24   and name H1' ))
   (  segid "SBS " and resid 25   and name H7% )
      4.100     2.100     1.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.92977E-03 ppm1      6.059 ppm2      1.517 CV     1
 ASSI {  337}
   (( segid "SBS " and resid 19   and name H1' ))
   (( segid "SBS " and resid 19   and name H2' ))
      3.700     1.700     1.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.81353E-03 ppm1      5.833 ppm2      1.433 CV     1
 ASSI {  342}
   (( segid "SBS " and resid 11   and name H5  ))
   (( segid "SBS " and resid 11   and name H3' ))
      6.000     4.800     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.17433E-03 ppm1      5.603 ppm2      4.771 CV     1
 ASSI {  343}
   (( segid "SBS " and resid 13   and name H1' ))
   (( segid "SBS " and resid 13   and name H2''))
      2.800     1.000     1.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.14406E-02 ppm1      5.433 ppm2      2.156 CV     1
 ASSI {  350}
   (( segid "SBS " and resid 18   and name H1' ))
   (( segid "SBS " and resid 19   and name H5''))
      4.200     2.200     1.800 peak   350 spectrum    1 weight  0.10000E+01 volume  0.20217E-02 ppm1      6.058 ppm2      4.351 CV     1
 ASSI {  353}
   (( segid "SBS " and resid 12   and name H1' ))
   (( segid "SBS " and resid 12   and name H4' ))
      3.000     1.200     1.200 peak   353 spectrum    1 weight  0.10000E+01 volume  0.24213E-02 ppm1      6.316 ppm2      4.386 CV     1
 ASSI {  354}
   (( segid "SBS " and resid 12   and name H1' ))
   (( segid "SBS " and resid 13   and name H4' ))
      4.600     2.700     1.400 peak   354 spectrum    1 weight  0.10000E+01 volume  0.23849E-02 ppm1      6.316 ppm2      4.230 CV     1
 ASSI {  356}
   (( segid "SBS " and resid 12   and name H1' ))
   (( segid "SBS " and resid 13   and name H5' ))
      2.400     0.700     0.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.36077E-02 ppm1      6.315 ppm2      4.045 CV     1
 OR {  356}
   (( segid "SBS " and resid 12   and name H1' ))
   (( segid "SBS " and resid 13   and name H5''))
 ASSI {  363}
   (( segid "SBS " and resid 28   and name H1' ))
   (( segid "SBS " and resid 28   and name H4' ))
      3.300     1.400     1.400 peak   363 spectrum    1 weight  0.10000E+01 volume  0.13801E-02 ppm1      5.659 ppm2      4.251 CV     1
 ASSI {  365}
   (( segid "SBS " and resid 30   and name H1' ))
   (( segid "SBS " and resid 30   and name H3' ))
      4.200     2.200     1.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.15133E-02 ppm1      6.168 ppm2      4.459 CV     1
 ASSI {  366}
   (( segid "SBS " and resid 30   and name H1' ))
   (( segid "SBS " and resid 30   and name H4' ))
      3.100     1.200     1.200 peak   366 spectrum    1 weight  0.10000E+01 volume  0.31598E-02 ppm1      6.166 ppm2      3.952 CV     1
 ASSI {  367}
   (( segid "SBS " and resid 17   and name H1' ))
   (( segid "SBS " and resid 18   and name H5''))
      3.600     1.700     1.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.33897E-02 ppm1      5.793 ppm2      4.210 CV     1
 ASSI {  370}
   (( segid "SBS " and resid 14   and name H1' ))
   (( segid "SBS " and resid 14   and name H2' ))
      2.800     1.000     1.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.53631E-02 ppm1      5.985 ppm2      2.587 CV     1
 ASSI {  372}
   (( segid "SBS " and resid 17   and name H1' ))
   (( segid "SBS " and resid 17   and name H2' ))
      3.000     1.100     1.100 peak   372 spectrum    1 weight  0.10000E+01 volume  0.29902E-02 ppm1      5.787 ppm2      2.289 CV     1
 ASSI {  373}
   (( segid "SBS " and resid 27   and name H1' ))
   (( segid "SBS " and resid 27   and name H3' ))
      4.500     2.500     1.500 peak   373 spectrum    1 weight  0.10000E+01 volume  0.68281E-03 ppm1      6.077 ppm2      5.071 CV     1
 ASSI {  376}
   (( segid "SBS " and resid 13   and name H1' ))
   (( segid "SBS " and resid 13   and name H2' ))
      3.600     1.700     1.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.95881E-03 ppm1      5.434 ppm2      1.722 CV     1
 ASSI {  377}
   (( segid "SBS " and resid 10   and name H6  ))
   (( segid "SBS " and resid 10   and name H5' ))
      3.200     1.300     1.300 peak   377 spectrum    1 weight  0.10000E+01 volume  0.30024E-02 ppm1      7.265 ppm2      4.145 CV     1
 OR {  377}
   (( segid "SBS " and resid 10   and name H6  ))
   (( segid "SBS " and resid 10   and name H5''))
 ASSI {  382}
   (( segid "SBS " and resid 25   and name H6  ))
   (  segid "SBS " and resid 25   and name H7% )
      2.900     1.100     1.100 peak   382 spectrum    1 weight  0.10000E+01 volume  0.21549E-02 ppm1      7.022 ppm2      1.519 CV     1
 ASSI {  394}
   (( segid "SBS " and resid 21   and name H1  ))
   (( segid "SBS " and resid 10   and name H5  ))
      2.900     2.900     3.100 peak   394 spectrum    1 weight  0.10000E+01 volume  0.77722E-03 ppm1     12.786 ppm2      5.094 CV     1
 ASSI {  395}
   (( segid "SBS " and resid 9    and name H1  ))
   (( segid "SBS " and resid 22   and name H5  ))
      4.800     2.900     1.200 peak   395 spectrum    1 weight  0.10000E+01 volume  0.83897E-03 ppm1     12.881 ppm2      5.158 CV     1
 ASSI {  397}
   (( segid "SBS " and resid 27   and name H1' ))
   (( segid "SBS " and resid 27   and name H4' ))
      3.500     1.500     1.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.98304E-03 ppm1      6.073 ppm2      4.527 CV     1
 ASSI {  403}
   (( segid "SBS " and resid 15   and name H8  ))
   (( segid "SBS " and resid 14   and name H1' ))
      2.400     0.700     0.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.77478E-02 ppm1      7.611 ppm2      5.973 CV     1
 ASSI {  405}
   (( segid "SBS " and resid 23   and name H6  ))
   (( segid "SBS " and resid 22   and name H1' ))
      2.100     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.10835E-01 ppm1      7.427 ppm2      5.950 CV     1
 ASSI {  409}
   (( segid "SBS " and resid 17   and name H6  ))
   (( segid "SBS " and resid 17   and name H1' ))
      3.000     1.100     1.100 peak   409 spectrum    1 weight  0.10000E+01 volume  0.61741E-02 ppm1      7.509 ppm2      5.792 CV     1
 ASSI {  410}
   (( segid "SBS " and resid 10   and name H6  ))
   (( segid "SBS " and resid 11   and name H5  ))
      3.600     1.600     1.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.19976E-02 ppm1      7.268 ppm2      5.610 CV     1
 ASSI {  411}
   (( segid "SBS " and resid 8    and name H8  ))
   (( segid "SBS " and resid 8    and name H4' ))
      5.200     3.400     0.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.49151E-03 ppm1      7.938 ppm2      4.203 CV     1
 ASSI {  413}
   (( segid "SBS " and resid 6    and name H8  ))
   (( segid "SBS " and resid 7    and name H8  ))
      4.800     2.900     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.15133E-02 ppm1      8.698 ppm2      7.495 CV     1
 ASSI {  417}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 13   and name H6  ))
      6.000     4.600     0.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.45641E-03 ppm1      8.062 ppm2      7.102 CV     1
 ASSI {  418}
   (( segid "SBS " and resid 14   and name H8  ))
   (( segid "SBS " and resid 15   and name H8  ))
      4.400     2.400     1.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.27723E-02 ppm1      8.063 ppm2      7.615 CV     1
 ASSI {  419}
   (( segid "SBS " and resid 8    and name H8  ))
   (( segid "SBS " and resid 9    and name H8  ))
      4.300     2.300     1.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.18886E-02 ppm1      7.938 ppm2      7.520 CV     1
 ASSI {  421}
   (( segid "SBS " and resid 18   and name H8  ))
   (( segid "SBS " and resid 17   and name H6  ))
      4.400     2.400     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.28571E-02 ppm1      7.841 ppm2      7.511 CV     1
 ASSI {  423}
   (( segid "SBS " and resid 28   and name H8  ))
   (( segid "SBS " and resid 29   and name H6  ))
      5.600     4.000     0.400 peak   423 spectrum    1 weight  0.10000E+01 volume  0.57140E-03 ppm1      7.710 ppm2      7.258 CV     1
 ASSI {  425}
   (( segid "SBS " and resid 22   and name H6  ))
   (( segid "SBS " and resid 23   and name H5  ))
      3.400     1.500     1.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.23971E-02 ppm1      7.357 ppm2      5.365 CV     1
 ASSI {  426}
   (( segid "SBS " and resid 5    and name H42 ))
   (( segid "SBS " and resid 5    and name H5  ))
      6.000     4.500     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.22033E-03 ppm1      8.692 ppm2      5.785 CV     1
 ASSI {  427}
   (( segid "SBS " and resid 21   and name H1  ))
   (( segid "SBS " and resid 21   and name H22 ))
      3.800     1.800     1.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.55566E-03 ppm1     12.786 ppm2      6.908 CV     1
 OR {  427}
   (( segid "SBS " and resid 21   and name H1  ))
   (( segid "SBS " and resid 21   and name H21 ))
 ASSI {  428}
   (( segid "SBS " and resid 9    and name H1  ))
   (( segid "SBS " and resid 23   and name H42 ))
      4.200     2.300     1.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.36198E-03 ppm1     12.880 ppm2      7.788 CV     1
 ASSI {    4}
   (( segid "SBS " and resid 24   and name H6  ))
   (( segid "SBS " and resid 24   and name H5  ))
      2.100     0.500     0.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.10187E-01 ppm1      7.611 ppm2      5.545 CV     1
 ASSI {    9}
   (( segid "SBS " and resid 18   and name H2''))
   (  segid "SBS " and resid 19   and name H7% )
      2.600     0.800     0.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.44882E-02 ppm1      2.767 ppm2      0.994 CV     1
 ASSI {   10}
   (( segid "SBS " and resid 18   and name H2' ))
   (  segid "SBS " and resid 19   and name H7% )
      2.600     0.800     0.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.40173E-02 ppm1      2.571 ppm2      0.994 CV     1
 ASSI {   11}
   (( segid "SBS " and resid 16   and name H2''))
   (  segid "SBS " and resid 17   and name H7% )
      2.400     0.700     0.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.58531E-02 ppm1      2.549 ppm2      1.685 CV     1
 ASSI {   12}
   (( segid "SBS " and resid 17   and name H2' ))
   (  segid "SBS " and resid 17   and name H7% )
      4.000     2.000     2.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.22200E-02 ppm1      2.287 ppm2      1.685 CV     1
 ASSI {   13}
   (( segid "SBS " and resid 16   and name H2' ))
   (  segid "SBS " and resid 17   and name H7% )
      2.200     0.600     0.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.10091E-01 ppm1      2.137 ppm2      1.687 CV     1
 ASSI {   14}
   (( segid "SBS " and resid 24   and name H2''))
   (  segid "SBS " and resid 25   and name H7% )
      3.100     1.200     1.200 peak    14 spectrum    1 weight  0.10000E+01 volume  0.17491E-02 ppm1      2.428 ppm2      1.523 CV     1
 ASSI {   15}
   (( segid "SBS " and resid 24   and name H2' ))
   (  segid "SBS " and resid 25   and name H7% )
      3.100     1.200     1.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.13070E-02 ppm1      2.119 ppm2      1.509 CV     1
 ASSI {   20}
   (( segid "SBS " and resid 19   and name H6  ))
   (  segid "SBS " and resid 19   and name H7% )
      2.200     0.600     0.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.11437E-01 ppm1      6.549 ppm2      0.994 CV     1
 ASSI {   21}
   (( segid "SBS " and resid 18   and name H1' ))
   (  segid "SBS " and resid 19   and name H7% )
      3.200     1.300     1.300 peak    21 spectrum    1 weight  0.10000E+01 volume  0.43055E-02 ppm1      6.065 ppm2      0.993 CV     1
 ASSI {   22}
   (( segid "SBS " and resid 16   and name H1' ))
   (  segid "SBS " and resid 17   and name H7% )
      3.000     1.100     1.100 peak    22 spectrum    1 weight  0.10000E+01 volume  0.67753E-02 ppm1      5.916 ppm2      1.685 CV     1
 OR {   22}
   (( segid "SBS " and resid 16   and name H5  ))
   (  segid "SBS " and resid 17   and name H7% )
 ASSI {   23}
   (( segid "SBS " and resid 17   and name H1' ))
   (  segid "SBS " and resid 17   and name H7% )
      4.600     2.700     1.400 peak    23 spectrum    1 weight  0.10000E+01 volume  0.85629E-03 ppm1      5.786 ppm2      1.685 CV     1
 ASSI {   26}
   (( segid "SBS " and resid 24   and name H5  ))
   (  segid "SBS " and resid 25   and name H7% )
      3.800     1.800     1.800 peak    26 spectrum    1 weight  0.10000E+01 volume  0.17972E-02 ppm1      5.548 ppm2      1.517 CV     1
 ASSI {   27}
   (( segid "SBS " and resid 17   and name H3' ))
   (  segid "SBS " and resid 17   and name H7% )
      2.900     2.900     3.100 peak    27 spectrum    1 weight  0.10000E+01 volume  0.91494E-03 ppm1      4.888 ppm2      1.686 CV     1
 ASSI {   28}
   (( segid "SBS " and resid 18   and name H3' ))
   (  segid "SBS " and resid 19   and name H7% )
      4.100     2.100     1.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.37385E-02 ppm1      5.036 ppm2      0.993 CV     1
 ASSI {   29}
   (( segid "SBS " and resid 17   and name H5''))
   (  segid "SBS " and resid 17   and name H7% )
      5.600     4.000     0.400 peak    29 spectrum    1 weight  0.10000E+01 volume  0.10476E-02 ppm1      4.076 ppm2      1.686 CV     1
 ASSI {   30}
   (( segid "SBS " and resid 19   and name H1' ))
   (  segid "SBS " and resid 19   and name H7% )
      4.800     2.900     1.200 peak    30 spectrum    1 weight  0.10000E+01 volume  0.63909E-03 ppm1      5.844 ppm2      0.996 CV     1
 ASSI {   34}
   (( segid "SBS " and resid 23   and name H1' ))
   (( segid "SBS " and resid 24   and name H5  ))
      3.500     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.17395E-02 ppm1      5.805 ppm2      5.547 CV     1
 ASSI {   35}
   (( segid "SBS " and resid 12   and name H1' ))
   (( segid "SBS " and resid 13   and name H5  ))
      4.400     2.500     1.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.42864E-03 ppm1      6.312 ppm2      5.304 CV     1
 ASSI {   38}
   (( segid "SBS " and resid 23   and name H5  ))
   (( segid "SBS " and resid 24   and name H5  ))
      4.000     2.000     2.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.11821E-02 ppm1      5.361 ppm2      5.546 CV     1
 ASSI {   39}
   (( segid "SBS " and resid 22   and name H5  ))
   (( segid "SBS " and resid 23   and name H5  ))
      4.100     2.100     1.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.97070E-03 ppm1      5.157 ppm2      5.359 CV     1
 ASSI {   40}
   (( segid "SBS " and resid 10   and name H5  ))
   (( segid "SBS " and resid 11   and name H5  ))
      4.500     2.500     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.57566E-03 ppm1      5.095 ppm2      5.606 CV     1
 ASSI {   41}
   (( segid "SBS " and resid 30   and name H1' ))
   (( segid "SBS " and resid 30   and name H5  ))
      5.300     3.500     0.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.43152E-03 ppm1      6.152 ppm2      5.673 CV     1
 ASSI {   43}
   (( segid "SBS " and resid 29   and name H1' ))
   (( segid "SBS " and resid 30   and name H5  ))
      3.600     1.600     1.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.14128E-02 ppm1      5.875 ppm2      5.669 CV     1
 ASSI {   47}
   (( segid "SBS " and resid 23   and name H5  ))
   (( segid "SBS " and resid 23   and name H1' ))
      4.900     3.000     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.57470E-03 ppm1      5.361 ppm2      5.803 CV     1
 ASSI {   48}
   (( segid "SBS " and resid 23   and name H5  ))
   (( segid "SBS " and resid 22   and name H1' ))
      3.400     1.500     1.500 peak    48 spectrum    1 weight  0.10000E+01 volume  0.18453E-02 ppm1      5.359 ppm2      5.937 CV     1
 ASSI {   50}
   (( segid "SBS " and resid 11   and name H5  ))
   (( segid "SBS " and resid 10   and name H1' ))
      4.200     2.200     1.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.60065E-03 ppm1      5.607 ppm2      5.972 CV     1
 ASSI {   53}
   (( segid "SBS " and resid 10   and name H5  ))
   (( segid "SBS " and resid 9    and name H1' ))
      3.800     1.800     1.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.10764E-02 ppm1      5.095 ppm2      5.863 CV     1
 ASSI {   56}
   (( segid "SBS " and resid 11   and name H5  ))
   (( segid "SBS " and resid 10   and name H2''))
      3.000     1.200     1.200 peak    56 spectrum    1 weight  0.10000E+01 volume  0.15665E-02 ppm1      5.603 ppm2      2.376 CV     1
 ASSI {   57}
   (( segid "SBS " and resid 11   and name H5  ))
   (( segid "SBS " and resid 11   and name H2''))
      5.600     3.900     0.400 peak    57 spectrum    1 weight  0.10000E+01 volume  0.12109E-02 ppm1      5.606 ppm2      2.238 CV     1
 ASSI {   58}
   (( segid "SBS " and resid 11   and name H5  ))
   (( segid "SBS " and resid 11   and name H2' ))
      4.600     2.600     1.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.11629E-02 ppm1      5.603 ppm2      2.074 CV     1
 ASSI {   59}
   (( segid "SBS " and resid 11   and name H5  ))
   (( segid "SBS " and resid 10   and name H2' ))
      3.900     1.900     1.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.60161E-03 ppm1      5.601 ppm2      1.916 CV     1
 ASSI {   62}
   (( segid "SBS " and resid 13   and name H5  ))
   (( segid "SBS " and resid 13   and name H2' ))
      4.600     2.700     1.400 peak    62 spectrum    1 weight  0.10000E+01 volume  0.11341E-02 ppm1      5.305 ppm2      1.724 CV     1
 ASSI {   63}
   (( segid "SBS " and resid 29   and name H5  ))
   (( segid "SBS " and resid 29   and name H2' ))
      4.600     2.700     1.400 peak    63 spectrum    1 weight  0.10000E+01 volume  0.11052E-02 ppm1      5.306 ppm2      1.979 CV     1
 ASSI {   65}
   (( segid "SBS " and resid 23   and name H5  ))
   (( segid "SBS " and resid 23   and name H2' ))
      4.400     2.400     1.600 peak    65 spectrum    1 weight  0.10000E+01 volume  0.14128E-02 ppm1      5.361 ppm2      2.102 CV     1
 ASSI {   66}
   (( segid "SBS " and resid 23   and name H5  ))
   (( segid "SBS " and resid 22   and name H2' ))
      3.500     1.500     1.500 peak    66 spectrum    1 weight  0.10000E+01 volume  0.12686E-02 ppm1      5.361 ppm2      2.189 CV     1
 ASSI {   68}
   (( segid "SBS " and resid 13   and name H5  ))
   (( segid "SBS " and resid 13   and name H2''))
      6.000     4.700     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.64777E-03 ppm1      5.305 ppm2      2.152 CV     1
 ASSI {   69}
   (( segid "SBS " and resid 22   and name H5  ))
   (( segid "SBS " and resid 22   and name H2''))
      6.000     4.900     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.54205E-03 ppm1      5.155 ppm2      2.454 CV     1
 ASSI {   71}
   (( segid "SBS " and resid 10   and name H5  ))
   (( segid "SBS " and resid 10   and name H2''))
      6.000     5.000     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.51706E-03 ppm1      5.094 ppm2      2.382 CV     1
 ASSI {   73}
   (( segid "SBS " and resid 10   and name H5  ))
   (( segid "SBS " and resid 10   and name H2' ))
      5.300     3.500     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.46227E-03 ppm1      5.099 ppm2      1.913 CV     1
 ASSI {   77}
   (( segid "SBS " and resid 20   and name H8  ))
   (( segid "SBS " and resid 19   and name H6  ))
      5.100     3.300     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.10283E-02 ppm1      8.325 ppm2      6.549 CV     1
 ASSI {   86}
   (( segid "SBS " and resid 16   and name H6  ))
   (( segid "SBS " and resid 17   and name H6  ))
      4.600     2.700     1.400 peak    86 spectrum    1 weight  0.10000E+01 volume  0.18549E-02 ppm1      7.802 ppm2      7.514 CV     1
 ASSI {    1}
   (  segid "SF1 " and resid 81   and name HE% )
   (  segid "SF1 " and resid 81   and name HD% )
      2.200     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.10298E-01 ppm1      7.739 ppm2      7.400 CV     1
 ASSI {    2}
   (( segid "SF1 " and resid 82   and name HA  ))
   (  segid "SF1 " and resid 81   and name HD% )
      2.900     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.24241E-02 ppm1      7.749 ppm2      4.035 CV     1
 ASSI {    3}
   (( segid "SF1 " and resid 61   and name HB2 ))
   (  segid "SF1 " and resid 81   and name HD% )
      3.000     1.100     1.100 peak     3 spectrum    1 weight  0.10000E+01 volume  0.18773E-02 ppm1      7.738 ppm2      2.734 CV     1
 ASSI {    4}
   (( segid "SF1 " and resid 87   and name HB2 ))
   (  segid "SF1 " and resid 51   and name HD% )
      2.700     0.900     0.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.40098E-02 ppm1      7.095 ppm2      3.080 CV     1
 ASSI {    5}
   (  segid "SF1 " and resid 61   and name HE% )
   (  segid "SF1 " and resid 61   and name HD% )
      2.200     0.600     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.10608E-01 ppm1      7.094 ppm2      6.521 CV     1
 ASSI {    7}
   (( segid "SF1 " and resid 61   and name HB1 ))
   (  segid "SF1 " and resid 61   and name HD% )
      2.500     0.800     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.50670E-02 ppm1      7.104 ppm2      3.582 CV     1
 ASSI {    9}
   (( segid "SF1 " and resid 37   and name HA  ))
   (  segid "SF1 " and resid 37   and name HD% )
      3.000     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.20778E-02 ppm1      6.690 ppm2      3.845 CV     1
 ASSI {   11}
   (( segid "SF1 " and resid 37   and name HB2 ))
   (  segid "SF1 " and resid 37   and name HD% )
      3.300     1.300     1.300 peak    11 spectrum    1 weight  0.10000E+01 volume  0.10462E-02 ppm1      6.713 ppm2      1.673 CV     1
 ASSI {   12}
   (( segid "SF1 " and resid 113  and name HA  ))
   (  segid "SF1 " and resid 113  and name HD% )
      2.400     0.700     0.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.60877E-02 ppm1      6.510 ppm2      3.919 CV     1
 ASSI {   19}
   (( segid "SF1 " and resid 95   and name HG1 ))
   (  segid "SF1 " and resid 109  and name HD% )
      4.000     2.000     2.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.99700E-03 ppm1      7.138 ppm2      2.416 CV     1
 OR {   19}
   (( segid "SF1 " and resid 95   and name HG2 ))
   (  segid "SF1 " and resid 109  and name HD% )
 ASSI {   22}
   (  segid "SF1 " and resid 84   and name HE% )
   (( segid "SF1 " and resid 84   and name HZ  ))
      2.300     0.700     0.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.77646E-02 ppm1      6.915 ppm2      7.046 CV     1
 ASSI {   27}
   (  segid "SF1 " and resid 51   and name HE% )
   (( segid "SF1 " and resid 51   and name HZ  ))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.39005E-02 ppm1      6.701 ppm2      6.832 CV     1
 ASSI {   29}
   (( segid "SF1 " and resid 43   and name HG1 ))
   (( segid "SF1 " and resid 38   and name HD2 ))
      2.900     1.100     1.100 peak    29 spectrum    1 weight  0.10000E+01 volume  0.28069E-02 ppm1      7.435 ppm2      4.325 CV     1
 ASSI {   31}
   (( segid "SF1 " and resid 60   and name HB1 ))
   (( segid "SF1 " and resid 60   and name HD2 ))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.53037E-02 ppm1      7.170 ppm2      3.147 CV     1
 ASSI {   34}
   (  segid "SF1 " and resid 97   and name HG2%)
   (  segid "SF1 " and resid 39   and name HE% )
      3.300     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.15711E-02 ppm1      7.081 ppm2      0.648 CV     1
 ASSI {   39}
   (( segid "SF1 " and resid 61   and name HB1 ))
   (  segid "SF1 " and resid 61   and name HE% )
      4.300     2.300     1.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.87853E-03 ppm1      6.527 ppm2      3.561 CV     1
 ASSI {   41}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (  segid "SF1 " and resid 61   and name HE% )
      4.100     2.100     1.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      6.521 ppm2      1.113 CV     1
 ASSI {   46}
   (( segid "SF1 " and resid 40   and name HA1 ))
   (  segid "SF1 " and resid 113  and name HE% )
      3.700     1.700     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.24788E-02 ppm1      6.471 ppm2      4.453 CV     1
 ASSI {   48}
   (( segid "SF1 " and resid 81   and name HA  ))
   (  segid "SF1 " and resid 81   and name HD% )
      3.200     1.300     1.300 peak    48 spectrum    1 weight  0.10000E+01 volume  0.14053E-02 ppm1      7.756 ppm2      4.195 CV     1
 ASSI {   51}
   (( segid "SF1 " and resid 84   and name HA  ))
   (  segid "SF1 " and resid 84   and name HD% )
      2.800     1.000     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.23877E-02 ppm1      7.326 ppm2      4.706 CV     1
 ASSI {   53}
   (  segid "SF1 " and resid 20   and name HD% )
   (  segid "SF1 " and resid 20   and name HE% )
      1.600     0.300     0.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.86030E-01 ppm1      7.332 ppm2      7.220 CV     1
 ASSI {   54}
   (( segid "SF1 " and resid 81   and name HB1 ))
   (  segid "SF1 " and resid 81   and name HD% )
      2.900     1.000     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.18190E-02 ppm1      7.745 ppm2      3.044 CV     1
 ASSI {   55}
   (( segid "SF1 " and resid 62   and name HA  ))
   (  segid "SF1 " and resid 81   and name HD% )
      3.400     1.400     1.400 peak    55 spectrum    1 weight  0.10000E+01 volume  0.12649E-02 ppm1      7.754 ppm2      4.315 CV     1
 ASSI {   56}
   (( segid "SF1 " and resid 67   and name HB2 ))
   (  segid "SF1 " and resid 81   and name HD% )
      4.400     2.400     1.600 peak    56 spectrum    1 weight  0.10000E+01 volume  0.87487E-03 ppm1      7.739 ppm2      2.342 CV     1
 ASSI {   60}
   (  segid "SF1 " and resid 37   and name HD% )
   (  segid "SF1 " and resid 113  and name HD% )
      2.900     1.000     1.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.30985E-02 ppm1      6.529 ppm2      6.705 CV     1
 OR {   60}
   (  segid "SF1 " and resid 37   and name HE% )
   (  segid "SF1 " and resid 113  and name HD% )
 ASSI {   61}
   (( segid "SF1 " and resid 113  and name HB1 ))
   (  segid "SF1 " and resid 113  and name HD% )
      3.100     1.200     1.200 peak    61 spectrum    1 weight  0.10000E+01 volume  0.20960E-02 ppm1      6.521 ppm2      2.717 CV     1
 ASSI {   62}
   (  segid "SF1 " and resid 113  and name HE% )
   (  segid "SF1 " and resid 37   and name HD% )
      3.100     1.200     1.200 peak    62 spectrum    1 weight  0.10000E+01 volume  0.17224E-02 ppm1      6.683 ppm2      6.493 CV     1
 OR {   62}
   (  segid "SF1 " and resid 113  and name HD% )
   (  segid "SF1 " and resid 37   and name HD% )
 ASSI {   64}
   (  segid "SF1 " and resid 84   and name HD% )
   (  segid "SF1 " and resid 84   and name HE% )
      2.600     0.800     0.800 peak    64 spectrum    1 weight  0.10000E+01 volume  0.39552E-02 ppm1      7.054 ppm2      7.322 CV     1
 ASSI {   71}
   (  segid "SF1 " and resid 94   and name HD1%)
   (  segid "SF1 " and resid 51   and name HE% )
      3.600     1.600     1.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.13141E-02 ppm1      6.845 ppm2      1.014 CV     1
 ASSI {   72}
   (( segid "SF1 " and resid 88   and name HG  ))
   (( segid "SF1 " and resid 51   and name HZ  ))
      3.600     1.600     1.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.77097E-03 ppm1      6.699 ppm2      1.136 CV     1
 ASSI {   73}
   (( segid "SF1 " and resid 112  and name HG2 ))
   (  segid "SF1 " and resid 109  and name HD% )
      3.300     1.400     1.400 peak    73 spectrum    1 weight  0.10000E+01 volume  0.15183E-02 ppm1      7.137 ppm2      1.994 CV     1
 ASSI {   74}
   (( segid "SF1 " and resid 108  and name HE2 ))
   (  segid "SF1 " and resid 109  and name HD% )
      2.900     2.900     3.100 peak    74 spectrum    1 weight  0.10000E+01 volume  0.94048E-03 ppm1      7.143 ppm2      2.756 CV     1
 OR {   74}
   (( segid "SF1 " and resid 108  and name HE1 ))
   (  segid "SF1 " and resid 109  and name HD% )
 ASSI {   75}
   (  segid "SF1 " and resid 50   and name HE% )
   (( segid "SF1 " and resid 50   and name HZ  ))
      3.000     1.100     1.100 peak    75 spectrum    1 weight  0.10000E+01 volume  0.16951E-02 ppm1      7.691 ppm2      7.212 CV     1
 ASSI {   76}
   (  segid "SF1 " and resid 50   and name HD% )
   (( segid "SF1 " and resid 50   and name HZ  ))
      4.000     2.000     2.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.11957E-02 ppm1      7.689 ppm2      7.635 CV     1
 ASSI {   78}
   (( segid "SF1 " and resid 59   and name HB1 ))
   (  segid "SF1 " and resid 61   and name HE% )
      3.500     1.500     1.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.88579E-03 ppm1      6.521 ppm2      1.052 CV     1
 OR {   78}
   (( segid "SF1 " and resid 59   and name HG2 ))
   (  segid "SF1 " and resid 61   and name HE% )
 ASSI {   79}
   (( segid "SF1 " and resid 59   and name HB2 ))
   (( segid "SF1 " and resid 60   and name HD2 ))
      3.800     1.800     1.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.13797E-02 ppm1      7.156 ppm2      0.985 CV     1
 ASSI {   80}
   (( segid "SF1 " and resid 48   and name HB2 ))
   (  segid "SF1 " and resid 39   and name HE% )
      3.200     1.300     1.300 peak    80 spectrum    1 weight  0.10000E+01 volume  0.13396E-02 ppm1      7.088 ppm2      1.185 CV     1
 OR {   80}
   (( segid "SF1 " and resid 48   and name HD1 ))
   (  segid "SF1 " and resid 39   and name HE% )
 ASSI {   82}
   (( segid "SF1 " and resid 40   and name HA2 ))
   (  segid "SF1 " and resid 113  and name HE% )
      3.000     1.100     1.100 peak    82 spectrum    1 weight  0.10000E+01 volume  0.15456E-02 ppm1      6.471 ppm2      3.223 CV     1
assi {    1 ncsdssfnoeh.xpk }
    ((resid   46 and name HA   and segid SF1  ) 
  or (resid   46 and name HB#  and segid SF1  ))  
    ((resid   20 and name H2'  and segid SBS  ) 
  or (resid   20 and name H2'' and segid SBS  ))  
     2.25 2.25 2.25
assi {    2 ncsdssfnoeh.xpk }
    ((resid   46 and name HA   and segid SF1  ) 
  or (resid   46 and name HB#  and segid SF1  ))  
    ((resid   20 and name H1'  and segid SBS  ) 
  or (resid   20 and name H3'  and segid SBS  ))  
     2.25 2.25 2.25
assi {    3 ncsdssfnoeh.xpk }
     (resid   52 and name HE#  and segid SF1  ) 
     (resid    9 and name H8   and segid SBS  ) 
     2.25 2.25 2.25
assi {    5 ncsdssfnoeh.xpk }
     (resid   52 and name HE#  and segid SF1  ) 
    ((resid    8 and name H8   and segid SBS  ) 
  or (resid   10 and name H4#  and segid SBS  ))  
     2.25 2.25 2.25
assi {    7 ncsdssfnoeh.xpk }
     (resid  102 and name HE#  and segid SF1  ) 
    ((resid   27 and name H5'  and segid SBS  ) 
  or (resid   27 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {    8 ncsdssfnoeh.xpk }
     (resid   77 and name HE#  and segid SF1  ) 
    ((resid   19 and name H5'  and segid SBS  ) 
  or (resid   19 and name H5'' and segid SBS  ))  
     1.80 1.80 1.80
assi {   10 ncsdssfnoeh.xpk }
     (resid   77 and name HE#  and segid SF1  ) 
     (resid   19 and name H1'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   14 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
     (resid    9 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   15 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   16 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   17 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
     (resid    9 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   19 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   20 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.70 2.70 2.70
assi {   22 ncsdssfnoeh.xpk }
     (resid   53 and name HD#  and segid SF1  ) 
     (resid   19 and name H7#  and segid SBS  ) 
     1.80 1.80 1.80
assi {   33 ncsdssfnoeh.xpk }
     (resid   77 and name HG#  and segid SF1  ) 
    ((resid   19 and name H5'  and segid SBS  ) 
  or (resid   19 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   34 ncsdssfnoeh.xpk }
     (resid   77 and name HG#  and segid SF1  ) 
    ((resid   19 and name H5'  and segid SBS  ) 
  or (resid   19 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   35 ncsdssfnoeh.xpk }
     (resid  103 and name HG#  and segid SF1  ) 
     (resid    9 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   36 ncsdssfnoeh.xpk }
     (resid  103 and name HG#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   37 ncsdssfnoeh.xpk }
     (resid  103 and name HG#  and segid SF1  ) 
     (resid    9 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   38 ncsdssfnoeh.xpk }
     (resid  103 and name HG#  and segid SF1  ) 
    ((resid    9 and name H5'  and segid SBS  ) 
  or (resid    9 and name H5'' and segid SBS  ))  
     2.70 2.70 2.70
assi {   40 ncsdssfnoeh.xpk }
     (resid   53 and name HG#  and segid SF1  ) 
     (resid   19 and name H7#  and segid SBS  ) 
     2.25 2.25 2.25
assi {   41 ncsdssfnoeh.xpk }
     (resid   52 and name HD#  and segid SF1  ) 
     (resid    8 and name H8   and segid SBS  ) 
     2.25 2.25 2.25
assi {   42 ncsdssfnoeh.xpk }
     (resid   52 and name HD#  and segid SF1  ) 
     (resid    8 and name H8   and segid SBS  ) 
     2.70 2.70 2.70
assi {   43 ncsdssfnoeh.xpk }
     (resid   52 and name HD#  and segid SF1  ) 
     (resid    9 and name H8   and segid SBS  ) 
     2.25 2.25 2.25
assi {   44 ncsdssfnoeh.xpk }
     (resid   77 and name HD#  and segid SF1  ) 
    ((resid   19 and name H5'  and segid SBS  ) 
  or (resid   19 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   45 ncsdssfnoeh.xpk }
     (resid   77 and name HD#  and segid SF1  ) 
    ((resid   19 and name H5'  and segid SBS  ) 
  or (resid   19 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   48 ncsdssfnoeh.xpk }
     (resid   53 and name HB#  and segid SF1  ) 
     (resid   19 and name H7#  and segid SBS  ) 
     2.25 2.25 2.25
assi {   51 ncsdssfnoeh.xpk }
     (resid   45 and name HG#  and segid SF1  ) 
     (resid   22 and name H6   and segid SBS  ) 
     2.25 2.25 2.25
assi {   52 ncsdssfnoeh.xpk }
     (resid   45 and name HG#  and segid SF1  ) 
     (resid   22 and name H5   and segid SBS  ) 
     2.25 2.25 2.25
assi {   53 ncsdssfnoeh.xpk }
     (resid   45 and name HG#  and segid SF1  ) 
     (resid   22 and name H5   and segid SBS  ) 
     2.25 2.25 2.25
assi {   57 ncsdssfnoeh.xpk }
    ((resid   46 and name HA   and segid SF1  ) 
  or (resid   46 and name HB#  and segid SF1  ))  
     (resid   20 and name H8   and segid SBS  ) 
     2.70 2.70 2.70
assi {   58 ncsdssfnoeh.xpk }
     (resid   77 and name HE#  and segid SF1  ) 
     (resid   19 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   59 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
     (resid    8 and name H1'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   60 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
     (resid    8 and name H1'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   62 ncsdssfnoeh.xpk }
     (resid  106 and name HD#  and segid SF1  ) 
     (resid    6 and name H4'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   63 ncsdssfnoeh.xpk }
     (resid  106 and name HD#  and segid SF1  ) 
     (resid    6 and name H4'  and segid SBS  ) 
     3.00 3.00 3.00
assi {   65 ncsdssfnoeh.xpk }
     (resid   48 and name HE#  and segid SF1  ) 
     (resid   22 and name H4#  and segid SBS  ) 
     2.70 2.70 2.70
assi {   66 ncsdssfnoeh.xpk }
     (resid   48 and name HE#  and segid SF1  ) 
     (resid    8 and name H8   and segid SBS  ) 
     2.25 2.25 2.25
assi {   70 ncsdssfnoeh.xpk }
     (resid  106 and name HN   and segid SF1  ) 
     (resid   27 and name H1'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   71 ncsdssfnoeh.xpk }
     (resid  106 and name HN   and segid SF1  ) 
     (resid   27 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {   72 ncsdssfnoeh.xpk }
     (resid  106 and name HN   and segid SF1  ) 
    ((resid    6 and name H5'  and segid SBS  ) 
  or (resid    6 and name H5'' and segid SBS  )   
  or (resid   27 and name H5'  and segid SBS  )   
  or (resid   27 and name H5'' and segid SBS  ))  
     2.25 2.25 2.25
assi {   73 ncsdssfnoeh.xpk }
     (resid  103 and name HN   and segid SF1  ) 
     (resid   25 and name H1'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   82 ncsdssfnoeh.xpk }
     (resid  101 and name HD#  and segid SF1  ) 
    ((resid    8 and name H3'  and segid SBS  ) 
  or (resid    9 and name H3'  and segid SBS  ))  
     2.70 2.70 2.70
assi {   85 ncsdssfnoeh.xpk }
     (resid   45 and name HG#  and segid SF1  ) 
     (resid   22 and name H6   and segid SBS  ) 
     2.70 2.70 2.70
assi {   88 ncsdssfnoeh.xpk }
     (resid   53 and name HE   and segid SF1  ) 
     (resid   19 and name H7#  and segid SBS  ) 
     2.25 2.25 2.25
assi {   90 ncsdssfnoeh.xpk }
     (resid  102 and name HE#  and segid SF1  ) 
     (resid   27 and name H4'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   91 ncsdssfnoeh.xpk }
     (resid   48 and name HE#  and segid SF1  ) 
     (resid   23 and name H4#  and segid SBS  ) 
     2.70 2.70 2.70
assi {   95 ncsdssfnoeh.xpk }
     (resid   52 and name HD#  and segid SF1  ) 
     (resid    8 and name H2'  and segid SBS  ) 
     2.70 2.70 2.70
assi {   96 ncsdssfnoeh.xpk }
     (resid   52 and name HD#  and segid SF1  ) 
     (resid    8 and name H2'' and segid SBS  ) 
     3.00 3.00 3.00
assi {   97 ncsdssfnoeh.xpk }
     (resid  106 and name HD#  and segid SF1  ) 
    ((resid    6 and name H5'  and segid SBS  ) 
  or (resid    6 and name H5'' and segid SBS  ))  
     2.70 2.70 2.70
assi {  105 ncsdssfnoeh.xpk }
     (resid   98 and name HD#  and segid SF1  ) 
    ((resid    7 and name H4'  and segid SBS  ) 
  or (resid    8 and name H4'  and segid SBS  ))  
     2.70 2.70 2.70
assi {  106 ncsdssfnoeh.xpk }
     (resid   98 and name HD#  and segid SF1  ) 
    ((resid    7 and name H4'  and segid SBS  ) 
  or (resid    8 and name H4'  and segid SBS  ))  
     2.70 2.70 2.70
assi {  107 ncsdssfnoeh.xpk }
     (resid  113 and name HE#  and segid SF1  ) 
    ((resid    6 and name H5'  and segid SBS  ) 
  or (resid    6 and name H5'' and segid SBS  ))  
     2.70 2.70 2.70
assi {  108 ncsdssfnoeh.xpk }
     (resid  113 and name HE#  and segid SF1  ) 
     (resid    6 and name H4'  and segid SBS  ) 
     2.25 2.25 2.25
assi {  109 ncsdssfnoeh.xpk }
     (resid  113 and name HD#  and segid SF1  ) 
     (resid    6 and name H4'  and segid SBS  ) 
     2.70 2.70 2.70
assi {  110 ncsdssfnoeh.xpk }
     (resid  113 and name HD#  and segid SF1  ) 
    ((resid    6 and name H5'  and segid SBS  ) 
  or (resid    6 and name H5'' and segid SBS  ))  
     2.70 2.70 2.70
assi {    1 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   39 and name HE#  and segid SF1  ) 
     2.25 2.25 2.25
assi {    2 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid    8 and name H3'  and segid SBS  ) 
     2.70 2.70 2.70
assi {    3 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   52 and name HA   and segid SF1  ) 
     2.70 2.70 2.70
assi {    4 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   52 and name HE#  and segid SF1  ) 
     2.70 2.70 2.70
assi {    5 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid    8 and name H2'  and segid SBS  ) 
     2.70 2.70 2.70
assi {    6 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   52 and name HB#  and segid SF1  ) 
     2.70 2.70 2.70
assi {    7 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   52 and name HD#  and segid SF1  ) 
     2.25 2.25 2.25
assi {    8 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
    ((resid   52 and name HG#  and segid SF1  ) 
  or (resid   52 and name HD#  and segid SF1  ))  
     2.25 2.25 2.25
assi {    9 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   52 and name HG#  and segid SF1  ) 
     2.70 2.70 2.70
assi {   10 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   97 and name HG1# and segid SF1  ) 
     2.70 2.70 2.70
assi {   11 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   97 and name HG2# and segid SF1  ) 
     2.70 2.70 2.70
assi {   12 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid   39 and name HD#  and segid SF1  ) 
     2.70 2.70 2.70
assi {   13 nsdsnoesy.xpk }
     (resid   39 and name HH   and segid SF1  ) 
     (resid    8 and name H8   and segid SBS  ) 
     2.70 2.70 2.70
assign (resid  45 and name O and segid SF1 ) (resid  49 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  45 and name O and segid SF1 ) (resid  49 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  46 and name O and segid SF1 ) (resid  50 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  46 and name O and segid SF1 ) (resid  50 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  47 and name O and segid SF1 ) (resid  51 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  47 and name O and segid SF1 ) (resid  51 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  48 and name O and segid SF1 ) (resid  52 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  48 and name O and segid SF1 ) (resid  52 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  49 and name O and segid SF1 ) (resid  53 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  49 and name O and segid SF1 ) (resid  53 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  50 and name O and segid SF1 ) (resid  54 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  50 and name O and segid SF1 ) (resid  54 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  51 and name O and segid SF1 ) (resid  55 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  51 and name O and segid SF1 ) (resid  55 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  81 and name O and segid SF1 ) (resid  85 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  81 and name O and segid SF1 ) (resid  85 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  82 and name O and segid SF1 ) (resid  86 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  82 and name O and segid SF1 ) (resid  86 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  83 and name O and segid SF1 ) (resid  87 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  83 and name O and segid SF1 ) (resid  87 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  84 and name O and segid SF1 ) (resid  88 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  84 and name O and segid SF1 ) (resid  88 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid  85 and name O and segid SF1 ) (resid  89 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid  85 and name O and segid SF1 ) (resid  89 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid 111 and name O and segid SF1 ) (resid 115 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid 111 and name O and segid SF1 ) (resid 115 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid 112 and name O and segid SF1 ) (resid 116 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid 112 and name O and segid SF1 ) (resid 116 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid 113 and name O and segid SF1 ) (resid 117 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid 113 and name O and segid SF1 ) (resid 117 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid 114 and name O and segid SF1 ) (resid 118 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid 114 and name O and segid SF1 ) (resid 118 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid 115 and name O and segid SF1 ) (resid 119 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid 115 and name O and segid SF1 ) (resid 119 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid 116 and name O and segid SF1 ) (resid 120 and name HN and segid SF1 ) 1.90 0.20 0.20
assign (resid 116 and name O and segid SF1 ) (resid 120 and name N  and segid SF1 ) 2.90 0.20 0.20
assign (resid 27 and name SG and segid SF1 ) (resid 1  and name ZN2 and segid ZN2 ) 2.20 0.15 0.15
assign (resid 30 and name SG and segid SF1 ) (resid 1  and name ZN2 and segid ZN2 ) 2.20 0.15 0.15
assign (resid 44 and name SG and segid SF1 ) (resid 1  and name ZN2 and segid ZN2 ) 2.20 0.15 0.15
assign (resid 47 and name SG and segid SF1 ) (resid 1  and name ZN2 and segid ZN2 ) 2.20 0.15 0.15
assign (resid 63 and name SG and segid SF1 ) (resid 2  and name ZN2 and segid ZN2 ) 2.20 0.15 0.15
assign (resid 69 and name SG and segid SF1 ) (resid 2  and name ZN2 and segid ZN2 ) 2.20 0.15 0.15
assign (resid 79 and name SG and segid SF1 ) (resid 2  and name ZN2 and segid ZN2 ) 2.20 0.15 0.15
assign (resid 82 and name SG and segid SF1 ) (resid 2  and name ZN2 and segid ZN2 ) 2.20 0.15 0.15
assign (resid 27 and name SG and segid SF1 ) (resid 30 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 27 and name SG and segid SF1 ) (resid 44 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 27 and name SG and segid SF1 ) (resid 47 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 30 and name SG and segid SF1 ) (resid 44 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 30 and name SG and segid SF1 ) (resid 47 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 44 and name SG and segid SF1 ) (resid 47 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 63 and name SG and segid SF1 ) (resid 69 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 63 and name SG and segid SF1 ) (resid 79 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 63 and name SG and segid SF1 ) (resid 82 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 69 and name SG and segid SF1 ) (resid 79 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 69 and name SG and segid SF1 ) (resid 82 and name SG  and segid SF1 ) 3.50 0.15 0.15
assign (resid 79 and name SG and segid SF1 ) (resid 82 and name SG  and segid SF1 ) 3.50 0.15 0.15
!WC HB restraints between donor and acceptor heavy atoms
!G1-C30
assign (resid  1 and name  N1 and segid SBS) (resid 30 and name  N3 and segid SBS) 2.91 0.10 0.10
assign (resid  1 and name  O6 and segid SBS) (resid 30 and name  N4 and segid SBS) 2.70 0.10 0.10
assign (resid  1 and name  N2 and segid SBS) (resid 30 and name  O2 and segid SBS) 3.01 0.10 0.10
!G2-C29
assign (resid  2 and name  N1 and segid SBS) (resid 29 and name  N3 and segid SBS) 2.91 0.10 0.10
assign (resid  2 and name  O6 and segid SBS) (resid 29 and name  N4 and segid SBS) 2.70 0.10 0.10
assign (resid  2 and name  N2 and segid SBS) (resid 29 and name  O2 and segid SBS) 3.01 0.10 0.10
!C3-G28
assign (resid  3 and name  N3 and segid SBS) (resid 28 and name  N1 and segid SBS) 2.91 0.10 0.10
assign (resid  3 and name  N4 and segid SBS) (resid 28 and name  O6 and segid SBS) 2.70 0.10 0.10
assign (resid  3 and name  O2 and segid SBS) (resid 28 and name  N2 and segid SBS) 3.01 0.10 0.10
!T4-A27
assign (resid  4 and name  N3 and segid SBS) (resid 27 and name  N1 and segid SBS) 2.95 0.10 0.10
assign (resid  4 and name  O4 and segid SBS) (resid 27 and name  N6 and segid SBS) 2.81 0.10 0.10
!C5-G26
assign (resid  5 and name  N3 and segid SBS) (resid 26 and name  N1 and segid SBS) 2.91 0.10 0.10
assign (resid  5 and name  N4 and segid SBS) (resid 26 and name  O6 and segid SBS) 2.70 0.10 0.10
assign (resid  5 and name  O2 and segid SBS) (resid 26 and name  N2 and segid SBS) 3.01 0.10 0.10
!A6-T25
assign (resid  6 and name  N1 and segid SBS) (resid 25 and name  N3 and segid SBS) 2.95 0.10 0.10
assign (resid  6 and name  N6 and segid SBS) (resid 25 and name  O4 and segid SBS) 2.81 0.10 0.10
!G7-C24
assign (resid  7 and name  N1 and segid SBS) (resid 24 and name  N3 and segid SBS) 2.91 0.10 0.10
assign (resid  7 and name  O6 and segid SBS) (resid 24 and name  N4 and segid SBS) 2.70 0.10 0.10
assign (resid  7 and name  N2 and segid SBS) (resid 24 and name  O2 and segid SBS) 3.01 0.10 0.10
!G8-C23
assign (resid  8 and name  N1 and segid SBS) (resid 23 and name  N3 and segid SBS) 2.91 0.10 0.10
assign (resid  8 and name  O6 and segid SBS) (resid 23 and name  N4 and segid SBS) 2.70 0.10 0.10
assign (resid  8 and name  N2 and segid SBS) (resid 23 and name  O2 and segid SBS) 3.01 0.10 0.10
!G9-C22
assign (resid  9 and name  N1 and segid SBS) (resid 22 and name  N3 and segid SBS) 2.91 0.10 0.10
assign (resid  9 and name  O6 and segid SBS) (resid 22 and name  N4 and segid SBS) 2.70 0.10 0.10
assign (resid  9 and name  N2 and segid SBS) (resid 22 and name  O2 and segid SBS) 3.01 0.10 0.10
!C10-G21
assign (resid 10 and name  N3 and segid SBS) (resid 21 and name  N1 and segid SBS) 2.91 0.10 0.10
assign (resid 10 and name  N4 and segid SBS) (resid 21 and name  O6 and segid SBS) 2.70 0.10 0.10
assign (resid 10 and name  O2 and segid SBS) (resid 21 and name  N2 and segid SBS) 3.01 0.10 0.10
!C11-G20
assign (resid 11 and name  N3 and segid SBS) (resid 20 and name  N1 and segid SBS) 2.91 0.10 0.10
assign (resid 11 and name  N4 and segid SBS) (resid 20 and name  O6 and segid SBS) 2.70 0.10 0.10
assign (resid 11 and name  O2 and segid SBS) (resid 20 and name  N2 and segid SBS) 3.01 0.10 0.10
!A12-T19
assign (resid 12 and name  N1 and segid SBS) (resid 19 and name  N3 and segid SBS) 2.95 0.10 0.10
assign (resid 12 and name  N6 and segid SBS) (resid 19 and name  O4 and segid SBS) 2.81 0.10 0.10
!C13-G18
assign (resid 13 and name  N3 and segid SBS) (resid 18 and name  N1 and segid SBS) 2.91 0.10 0.10
assign (resid 13 and name  N4 and segid SBS) (resid 18 and name  O6 and segid SBS) 2.70 0.10 0.10
assign (resid 13 and name  O2 and segid SBS) (resid 18 and name  N2 and segid SBS) 3.01 0.10 0.10
!A14-T17
assign (resid 14 and name  N1 and segid SBS) (resid 17 and name  N3 and segid SBS) 2.95 0.10 0.10
assign (resid 14 and name  N6 and segid SBS) (resid 17 and name  O4 and segid SBS) 2.81 0.10 0.10
!G15-C16
assign (resid 15 and name  N1 and segid SBS) (resid 16 and name  N3 and segid SBS) 2.91 0.10 0.10
assign (resid 15 and name  O6 and segid SBS) (resid 16 and name  N4 and segid SBS) 2.70 0.10 0.10
assign (resid 15 and name  N2 and segid SBS) (resid 16 and name  O2 and segid SBS) 3.01 0.10 0.10

!WC HB restraints between proton donor and heavy atom acceptor
!G1-C30
assign (resid  1 and name  H1 and segid SBS) (resid 30 and name  N3 and segid SBS) 1.89 0.10 0.10
assign (resid  1 and name  O6 and segid SBS) (resid 30 and name H42 and segid SBS) 1.67 0.10 0.10
assign (resid  1 and name H22 and segid SBS) (resid 30 and name  O2 and segid SBS) 1.98 0.10 0.10
!G2-C29
assign (resid  2 and name  H1 and segid SBS) (resid 29 and name  N3 and segid SBS) 1.89 0.10 0.10
assign (resid  2 and name  O6 and segid SBS) (resid 29 and name H42 and segid SBS) 1.67 0.10 0.10
assign (resid  2 and name H22 and segid SBS) (resid 29 and name  O2 and segid SBS) 1.98 0.10 0.10
!C3-G28
assign (resid  3 and name  N3 and segid SBS) (resid 28 and name  H1 and segid SBS) 1.89 0.10 0.10
assign (resid  3 and name H42 and segid SBS) (resid 28 and name  O6 and segid SBS) 1.67 0.10 0.10
assign (resid  3 and name  O2 and segid SBS) (resid 28 and name H22 and segid SBS) 1.98 0.10 0.10
!T4-A27
assign (resid  4 and name  H3 and segid SBS) (resid 27 and name  N1 and segid SBS) 1.92 0.10 0.10
assign (resid  4 and name  O4 and segid SBS) (resid 27 and name H62 and segid SBS) 1.78 0.10 0.10
!C5-G26
assign (resid  5 and name  N3 and segid SBS) (resid 26 and name  H1 and segid SBS) 1.89 0.10 0.10
assign (resid  5 and name H42 and segid SBS) (resid 26 and name  O6 and segid SBS) 1.67 0.10 0.10
assign (resid  5 and name  O2 and segid SBS) (resid 26 and name H22 and segid SBS) 1.98 0.10 0.10
!A6-T25
assign (resid  6 and name  N1 and segid SBS) (resid 25 and name  H3 and segid SBS) 1.92 0.10 0.10
assign (resid  6 and name H62 and segid SBS) (resid 25 and name  O4 and segid SBS) 1.78 0.10 0.10
!G7-C24
assign (resid  7 and name  H1 and segid SBS) (resid 24 and name  N3 and segid SBS) 1.89 0.10 0.10
assign (resid  7 and name  O6 and segid SBS) (resid 24 and name H42 and segid SBS) 1.67 0.10 0.10
assign (resid  7 and name H22 and segid SBS) (resid 24 and name  O2 and segid SBS) 1.98 0.10 0.10
!G8-C23
assign (resid  8 and name  H1 and segid SBS) (resid 23 and name  N3 and segid SBS) 1.89 0.10 0.10
assign (resid  8 and name  O6 and segid SBS) (resid 23 and name H42 and segid SBS) 1.67 0.10 0.10
assign (resid  8 and name H22 and segid SBS) (resid 23 and name  O2 and segid SBS) 1.98 0.10 0.10
!G9-C22
assign (resid  9 and name  H1 and segid SBS) (resid 22 and name  N3 and segid SBS) 1.89 0.10 0.10
assign (resid  9 and name  O6 and segid SBS) (resid 22 and name H42 and segid SBS) 1.67 0.10 0.10
assign (resid  9 and name H22 and segid SBS) (resid 22 and name  O2 and segid SBS) 1.98 0.10 0.10
!C10-G21
assign (resid 10 and name  N3 and segid SBS) (resid 21 and name  H1 and segid SBS) 1.89 0.10 0.10
assign (resid 10 and name H42 and segid SBS) (resid 21 and name  O6 and segid SBS) 1.67 0.10 0.10
assign (resid 10 and name  O2 and segid SBS) (resid 21 and name H22 and segid SBS) 1.98 0.10 0.10
!C11-G20
assign (resid 11 and name  N3 and segid SBS) (resid 20 and name  H1 and segid SBS) 1.89 0.10 0.10
assign (resid 11 and name H42 and segid SBS) (resid 20 and name  O6 and segid SBS) 1.67 0.10 0.10
assign (resid 11 and name  O2 and segid SBS) (resid 20 and name H22 and segid SBS) 1.98 0.10 0.10
!A12-T19
assign (resid 12 and name  N1 and segid SBS) (resid 19 and name  H3 and segid SBS) 1.92 0.10 0.10
assign (resid 12 and name H62 and segid SBS) (resid 19 and name  O4 and segid SBS) 1.78 0.10 0.10
!C13-G18
assign (resid 13 and name  N3 and segid SBS) (resid 18 and name  H1 and segid SBS) 1.89 0.10 0.10
assign (resid 13 and name H42 and segid SBS) (resid 18 and name  O6 and segid SBS) 1.67 0.10 0.10
assign (resid 13 and name  O2 and segid SBS) (resid 18 and name H22 and segid SBS) 1.98 0.10 0.10
!A14-T17
assign (resid 14 and name  N1 and segid SBS) (resid 17 and name  H3 and segid SBS) 1.92 0.10 0.10
assign (resid 14 and name H62 and segid SBS) (resid 17 and name  O4 and segid SBS) 1.78 0.10 0.10
!G15-C16
assign (resid 15 and name  H1 and segid SBS) (resid 16 and name  N3 and segid SBS) 1.89 0.10 0.10
assign (resid 15 and name  O6 and segid SBS) (resid 16 and name H42 and segid SBS) 1.67 0.10 0.10
assign (resid 15 and name H22 and segid SBS) (resid 16 and name  O2 and segid SBS) 1.98 0.10 0.10
assign (resid  25 and name C   and segid SF1 ) (resid  26 and name N   and segid SF1 )
       (resid  26 and name CA  and segid SF1 ) (resid  26 and name C   and segid SF1 ) 1.0  -107.0   69.0 2
assign (resid  31 and name C   and segid SF1 ) (resid  32 and name N   and segid SF1 )
       (resid  32 and name CA  and segid SF1 ) (resid  32 and name C   and segid SF1 ) 1.0  -113.0   60.0 2
assign (resid  40 and name C   and segid SF1 ) (resid  41 and name N   and segid SF1 )
       (resid  41 and name CA  and segid SF1 ) (resid  41 and name C   and segid SF1 ) 1.0  -129.0   54.0 2
assign (resid  43 and name C   and segid SF1 ) (resid  44 and name N   and segid SF1 )
       (resid  44 and name CA  and segid SF1 ) (resid  44 and name C   and segid SF1 ) 1.0  -106.0   84.0 2
assign (resid  44 and name C   and segid SF1 ) (resid  45 and name N   and segid SF1 )
       (resid  45 and name CA  and segid SF1 ) (resid  45 and name C   and segid SF1 ) 1.0  -61.0   15.0 2
assign (resid  45 and name C   and segid SF1 ) (resid  46 and name N   and segid SF1 )
       (resid  46 and name CA  and segid SF1 ) (resid  46 and name C   and segid SF1 ) 1.0  -63.0   15.0 2
assign (resid  46 and name C   and segid SF1 ) (resid  47 and name N   and segid SF1 )
       (resid  47 and name CA  and segid SF1 ) (resid  47 and name C   and segid SF1 ) 1.0  -65.0   18.0 2
assign (resid  47 and name C   and segid SF1 ) (resid  48 and name N   and segid SF1 )
       (resid  48 and name CA  and segid SF1 ) (resid  48 and name C   and segid SF1 ) 1.0  -64.0   27.0 2
assign (resid  48 and name C   and segid SF1 ) (resid  49 and name N   and segid SF1 )
       (resid  49 and name CA  and segid SF1 ) (resid  49 and name C   and segid SF1 ) 1.0  -64.0    9.0 2
assign (resid  49 and name C   and segid SF1 ) (resid  50 and name N   and segid SF1 )
       (resid  50 and name CA  and segid SF1 ) (resid  50 and name C   and segid SF1 ) 1.0  -66.0   24.0 2
assign (resid  50 and name C   and segid SF1 ) (resid  51 and name N   and segid SF1 )
       (resid  51 and name CA  and segid SF1 ) (resid  51 and name C   and segid SF1 ) 1.0  -64.0   12.0 2
assign (resid  51 and name C   and segid SF1 ) (resid  52 and name N   and segid SF1 )
       (resid  52 and name CA  and segid SF1 ) (resid  52 and name C   and segid SF1 ) 1.0  -63.0   24.0 2
assign (resid  52 and name C   and segid SF1 ) (resid  53 and name N   and segid SF1 )
       (resid  53 and name CA  and segid SF1 ) (resid  53 and name C   and segid SF1 ) 1.0  -65.0   15.0 2
assign (resid  53 and name C   and segid SF1 ) (resid  54 and name N   and segid SF1 )
       (resid  54 and name CA  and segid SF1 ) (resid  54 and name C   and segid SF1 ) 1.0  -67.0   30.0 2
assign (resid  54 and name C   and segid SF1 ) (resid  55 and name N   and segid SF1 )
       (resid  55 and name CA  and segid SF1 ) (resid  55 and name C   and segid SF1 ) 1.0  -60.0   18.0 2
assign (resid  55 and name C   and segid SF1 ) (resid  56 and name N   and segid SF1 )
       (resid  56 and name CA  and segid SF1 ) (resid  56 and name C   and segid SF1 ) 1.0  -71.0   21.0 2
assign (resid  56 and name C   and segid SF1 ) (resid  57 and name N   and segid SF1 )
       (resid  57 and name CA  and segid SF1 ) (resid  57 and name C   and segid SF1 ) 1.0  -101.0   42.0 2
assign (resid  59 and name C   and segid SF1 ) (resid  60 and name N   and segid SF1 )
       (resid  60 and name CA  and segid SF1 ) (resid  60 and name C   and segid SF1 ) 1.0  -89.0   93.0 2
assign (resid  60 and name C   and segid SF1 ) (resid  61 and name N   and segid SF1 )
       (resid  61 and name CA  and segid SF1 ) (resid  61 and name C   and segid SF1 ) 1.0  -112.0   69.0 2
assign (resid  61 and name C   and segid SF1 ) (resid  62 and name N   and segid SF1 )
       (resid  62 and name CA  and segid SF1 ) (resid  62 and name C   and segid SF1 ) 1.0  -117.0   90.0 2
assign (resid  71 and name C   and segid SF1 ) (resid  72 and name N   and segid SF1 )
       (resid  72 and name CA  and segid SF1 ) (resid  72 and name C   and segid SF1 ) 1.0  -96.0   63.0 2
assign (resid  72 and name C   and segid SF1 ) (resid  73 and name N   and segid SF1 )
       (resid  73 and name CA  and segid SF1 ) (resid  73 and name C   and segid SF1 ) 1.0  -58.0   21.0 2
assign (resid  73 and name C   and segid SF1 ) (resid  74 and name N   and segid SF1 )
       (resid  74 and name CA  and segid SF1 ) (resid  74 and name C   and segid SF1 ) 1.0  -64.0   24.0 2
assign (resid  75 and name C   and segid SF1 ) (resid  76 and name N   and segid SF1 )
       (resid  76 and name CA  and segid SF1 ) (resid  76 and name C   and segid SF1 ) 1.0  -62.0   21.0 2
assign (resid  76 and name C   and segid SF1 ) (resid  77 and name N   and segid SF1 )
       (resid  77 and name CA  and segid SF1 ) (resid  77 and name C   and segid SF1 ) 1.0  -68.0   27.0 2
assign (resid  77 and name C   and segid SF1 ) (resid  78 and name N   and segid SF1 )
       (resid  78 and name CA  and segid SF1 ) (resid  78 and name C   and segid SF1 ) 1.0  -82.0   51.0 2
assign (resid  78 and name C   and segid SF1 ) (resid  79 and name N   and segid SF1 )
       (resid  79 and name CA  and segid SF1 ) (resid  79 and name C   and segid SF1 ) 1.0  -116.0   63.0 2
assign (resid  80 and name C   and segid SF1 ) (resid  81 and name N   and segid SF1 )
       (resid  81 and name CA  and segid SF1 ) (resid  81 and name C   and segid SF1 ) 1.0  -65.0   21.0 2
assign (resid  81 and name C   and segid SF1 ) (resid  82 and name N   and segid SF1 )
       (resid  82 and name CA  and segid SF1 ) (resid  82 and name C   and segid SF1 ) 1.0  -63.0   15.0 2
assign (resid  82 and name C   and segid SF1 ) (resid  83 and name N   and segid SF1 )
       (resid  83 and name CA  and segid SF1 ) (resid  83 and name C   and segid SF1 ) 1.0  -66.0   18.0 2
assign (resid  83 and name C   and segid SF1 ) (resid  84 and name N   and segid SF1 )
       (resid  84 and name CA  and segid SF1 ) (resid  84 and name C   and segid SF1 ) 1.0  -62.0   12.0 2
assign (resid  84 and name C   and segid SF1 ) (resid  85 and name N   and segid SF1 )
       (resid  85 and name CA  and segid SF1 ) (resid  85 and name C   and segid SF1 ) 1.0  -65.0   18.0 2
assign (resid  85 and name C   and segid SF1 ) (resid  86 and name N   and segid SF1 )
       (resid  86 and name CA  and segid SF1 ) (resid  86 and name C   and segid SF1 ) 1.0  -66.0   21.0 2
assign (resid  86 and name C   and segid SF1 ) (resid  87 and name N   and segid SF1 )
       (resid  87 and name CA  and segid SF1 ) (resid  87 and name C   and segid SF1 ) 1.0  -64.0   21.0 2
assign (resid  87 and name C   and segid SF1 ) (resid  88 and name N   and segid SF1 )
       (resid  88 and name CA  and segid SF1 ) (resid  88 and name C   and segid SF1 ) 1.0  -65.0   12.0 2
assign (resid  88 and name C   and segid SF1 ) (resid  89 and name N   and segid SF1 )
       (resid  89 and name CA  and segid SF1 ) (resid  89 and name C   and segid SF1 ) 1.0  -63.0   12.0 2
assign (resid  89 and name C   and segid SF1 ) (resid  90 and name N   and segid SF1 )
       (resid  90 and name CA  and segid SF1 ) (resid  90 and name C   and segid SF1 ) 1.0  -80.0   42.0 2
assign (resid  93 and name C   and segid SF1 ) (resid  94 and name N   and segid SF1 )
       (resid  94 and name CA  and segid SF1 ) (resid  94 and name C   and segid SF1 ) 1.0  -57.0   18.0 2
assign (resid  94 and name C   and segid SF1 ) (resid  95 and name N   and segid SF1 )
       (resid  95 and name CA  and segid SF1 ) (resid  95 and name C   and segid SF1 ) 1.0  -69.0   24.0 2
assign (resid  96 and name C   and segid SF1 ) (resid  97 and name N   and segid SF1 )
       (resid  97 and name CA  and segid SF1 ) (resid  97 and name C   and segid SF1 ) 1.0  -103.0   90.0 2
assign (resid  98 and name C   and segid SF1 ) (resid  99 and name N   and segid SF1 )
       (resid  99 and name CA  and segid SF1 ) (resid  99 and name C   and segid SF1 ) 1.0  -63.0   21.0 2
assign (resid 102 and name C   and segid SF1 ) (resid 103 and name N   and segid SF1 )
       (resid 103 and name CA  and segid SF1 ) (resid 103 and name C   and segid SF1 ) 1.0  -93.0   51.0 2
assign (resid 105 and name C   and segid SF1 ) (resid 106 and name N   and segid SF1 )
       (resid 106 and name CA  and segid SF1 ) (resid 106 and name C   and segid SF1 ) 1.0  -89.0   78.0 2
assign (resid 107 and name C   and segid SF1 ) (resid 108 and name N   and segid SF1 )
       (resid 108 and name CA  and segid SF1 ) (resid 108 and name C   and segid SF1 ) 1.0  -71.0   51.0 2
assign (resid 108 and name C   and segid SF1 ) (resid 109 and name N   and segid SF1 )
       (resid 109 and name CA  and segid SF1 ) (resid 109 and name C   and segid SF1 ) 1.0  -90.0   36.0 2
assign (resid 109 and name C   and segid SF1 ) (resid 110 and name N   and segid SF1 )
       (resid 110 and name CA  and segid SF1 ) (resid 110 and name C   and segid SF1 ) 1.0  -59.0   33.0 2
assign (resid 110 and name C   and segid SF1 ) (resid 111 and name N   and segid SF1 )
       (resid 111 and name CA  and segid SF1 ) (resid 111 and name C   and segid SF1 ) 1.0  -62.0    9.0 2
assign (resid 111 and name C   and segid SF1 ) (resid 112 and name N   and segid SF1 )
       (resid 112 and name CA  and segid SF1 ) (resid 112 and name C   and segid SF1 ) 1.0  -62.0   15.0 2
assign (resid 112 and name C   and segid SF1 ) (resid 113 and name N   and segid SF1 )
       (resid 113 and name CA  and segid SF1 ) (resid 113 and name C   and segid SF1 ) 1.0  -65.0   18.0 2
assign (resid 113 and name C   and segid SF1 ) (resid 114 and name N   and segid SF1 )
       (resid 114 and name CA  and segid SF1 ) (resid 114 and name C   and segid SF1 ) 1.0  -62.0   21.0 2
assign (resid 114 and name C   and segid SF1 ) (resid 115 and name N   and segid SF1 )
       (resid 115 and name CA  and segid SF1 ) (resid 115 and name C   and segid SF1 ) 1.0  -63.0   18.0 2
assign (resid 115 and name C   and segid SF1 ) (resid 116 and name N   and segid SF1 )
       (resid 116 and name CA  and segid SF1 ) (resid 116 and name C   and segid SF1 ) 1.0  -65.0   24.0 2
assign (resid 116 and name C   and segid SF1 ) (resid 117 and name N   and segid SF1 )
       (resid 117 and name CA  and segid SF1 ) (resid 117 and name C   and segid SF1 ) 1.0  -65.0   21.0 2
assign (resid 117 and name C   and segid SF1 ) (resid 118 and name N   and segid SF1 )
       (resid 118 and name CA  and segid SF1 ) (resid 118 and name C   and segid SF1 ) 1.0  -66.0   15.0 2
assign (resid 118 and name C   and segid SF1 ) (resid 119 and name N   and segid SF1 )
       (resid 119 and name CA  and segid SF1 ) (resid 119 and name C   and segid SF1 ) 1.0  -62.0   24.0 2
assign (resid 119 and name C   and segid SF1 ) (resid 120 and name N   and segid SF1 )
       (resid 120 and name CA  and segid SF1 ) (resid 120 and name C   and segid SF1 ) 1.0  -66.0   36.0 2
assign (resid 120 and name C   and segid SF1 ) (resid 121 and name N   and segid SF1 )
       (resid 121 and name CA  and segid SF1 ) (resid 121 and name C   and segid SF1 ) 1.0  -71.0   30.0 2
assign (resid  26 and name N   and segid SF1 ) (resid  26 and name CA  and segid SF1 )
       (resid  26 and name C   and segid SF1 ) (resid  27 and name N   and segid SF1 ) 1.0  133.0   72.0 2
assign (resid  32 and name N   and segid SF1 ) (resid  32 and name CA  and segid SF1 )
       (resid  32 and name C   and segid SF1 ) (resid  33 and name N   and segid SF1 ) 1.0  139.0   48.0 2
assign (resid  41 and name N   and segid SF1 ) (resid  41 and name CA  and segid SF1 )
       (resid  41 and name C   and segid SF1 ) (resid  42 and name N   and segid SF1 ) 1.0  151.0   51.0 2
assign (resid  44 and name N   and segid SF1 ) (resid  44 and name CA  and segid SF1 )
       (resid  44 and name C   and segid SF1 ) (resid  45 and name N   and segid SF1 ) 1.0  158.0   60.0 2
assign (resid  45 and name N   and segid SF1 ) (resid  45 and name CA  and segid SF1 )
       (resid  45 and name C   and segid SF1 ) (resid  46 and name N   and segid SF1 ) 1.0  -34.0   27.0 2
assign (resid  46 and name N   and segid SF1 ) (resid  46 and name CA  and segid SF1 )
       (resid  46 and name C   and segid SF1 ) (resid  47 and name N   and segid SF1 ) 1.0  -35.0   45.0 2
assign (resid  47 and name N   and segid SF1 ) (resid  47 and name CA  and segid SF1 )
       (resid  47 and name C   and segid SF1 ) (resid  48 and name N   and segid SF1 ) 1.0  -45.0   24.0 2
assign (resid  48 and name N   and segid SF1 ) (resid  48 and name CA  and segid SF1 )
       (resid  48 and name C   and segid SF1 ) (resid  49 and name N   and segid SF1 ) 1.0  -40.0   27.0 2
assign (resid  49 and name N   and segid SF1 ) (resid  49 and name CA  and segid SF1 )
       (resid  49 and name C   and segid SF1 ) (resid  50 and name N   and segid SF1 ) 1.0  -40.0   18.0 2
assign (resid  50 and name N   and segid SF1 ) (resid  50 and name CA  and segid SF1 )
       (resid  50 and name C   and segid SF1 ) (resid  51 and name N   and segid SF1 ) 1.0  -41.0   27.0 2
assign (resid  51 and name N   and segid SF1 ) (resid  51 and name CA  and segid SF1 )
       (resid  51 and name C   and segid SF1 ) (resid  52 and name N   and segid SF1 ) 1.0  -46.0   15.0 2
assign (resid  52 and name N   and segid SF1 ) (resid  52 and name CA  and segid SF1 )
       (resid  52 and name C   and segid SF1 ) (resid  53 and name N   and segid SF1 ) 1.0  -44.0   27.0 2
assign (resid  53 and name N   and segid SF1 ) (resid  53 and name CA  and segid SF1 )
       (resid  53 and name C   and segid SF1 ) (resid  54 and name N   and segid SF1 ) 1.0  -38.0   27.0 2
assign (resid  54 and name N   and segid SF1 ) (resid  54 and name CA  and segid SF1 )
       (resid  54 and name C   and segid SF1 ) (resid  55 and name N   and segid SF1 ) 1.0  -42.0   21.0 2
assign (resid  55 and name N   and segid SF1 ) (resid  55 and name CA  and segid SF1 )
       (resid  55 and name C   and segid SF1 ) (resid  56 and name N   and segid SF1 ) 1.0  -46.0   15.0 2
assign (resid  56 and name N   and segid SF1 ) (resid  56 and name CA  and segid SF1 )
       (resid  56 and name C   and segid SF1 ) (resid  57 and name N   and segid SF1 ) 1.0  -27.0   33.0 2
assign (resid  57 and name N   and segid SF1 ) (resid  57 and name CA  and segid SF1 )
       (resid  57 and name C   and segid SF1 ) (resid  58 and name N   and segid SF1 ) 1.0  -11.0   69.0 2
assign (resid  60 and name N   and segid SF1 ) (resid  60 and name CA  and segid SF1 )
       (resid  60 and name C   and segid SF1 ) (resid  61 and name N   and segid SF1 ) 1.0  137.0   78.0 2
assign (resid  61 and name N   and segid SF1 ) (resid  61 and name CA  and segid SF1 )
       (resid  61 and name C   and segid SF1 ) (resid  62 and name N   and segid SF1 ) 1.0  144.0   57.0 2
assign (resid  62 and name N   and segid SF1 ) (resid  62 and name CA  and segid SF1 )
       (resid  62 and name C   and segid SF1 ) (resid  63 and name N   and segid SF1 ) 1.0  125.0   57.0 2
assign (resid  72 and name N   and segid SF1 ) (resid  72 and name CA  and segid SF1 )
       (resid  72 and name C   and segid SF1 ) (resid  73 and name N   and segid SF1 ) 1.0  159.0   72.0 2
assign (resid  73 and name N   and segid SF1 ) (resid  73 and name CA  and segid SF1 )
       (resid  73 and name C   and segid SF1 ) (resid  74 and name N   and segid SF1 ) 1.0  -39.0   27.0 2
assign (resid  74 and name N   and segid SF1 ) (resid  74 and name CA  and segid SF1 )
       (resid  74 and name C   and segid SF1 ) (resid  75 and name N   and segid SF1 ) 1.0  -38.0   12.0 2
assign (resid  76 and name N   and segid SF1 ) (resid  76 and name CA  and segid SF1 )
       (resid  76 and name C   and segid SF1 ) (resid  77 and name N   and segid SF1 ) 1.0  -29.0   39.0 2
assign (resid  77 and name N   and segid SF1 ) (resid  77 and name CA  and segid SF1 )
       (resid  77 and name C   and segid SF1 ) (resid  78 and name N   and segid SF1 ) 1.0  -40.0   33.0 2
assign (resid  78 and name N   and segid SF1 ) (resid  78 and name CA  and segid SF1 )
       (resid  78 and name C   and segid SF1 ) (resid  79 and name N   and segid SF1 ) 1.0  -27.0   36.0 2
assign (resid  79 and name N   and segid SF1 ) (resid  79 and name CA  and segid SF1 )
       (resid  79 and name C   and segid SF1 ) (resid  80 and name N   and segid SF1 ) 1.0   65.0  138.0 2
assign (resid  81 and name N   and segid SF1 ) (resid  81 and name CA  and segid SF1 )
       (resid  81 and name C   and segid SF1 ) (resid  82 and name N   and segid SF1 ) 1.0  -41.0   15.0 2
assign (resid  82 and name N   and segid SF1 ) (resid  82 and name CA  and segid SF1 )
       (resid  82 and name C   and segid SF1 ) (resid  83 and name N   and segid SF1 ) 1.0  -44.0   30.0 2
assign (resid  83 and name N   and segid SF1 ) (resid  83 and name CA  and segid SF1 )
       (resid  83 and name C   and segid SF1 ) (resid  84 and name N   and segid SF1 ) 1.0  -42.0   12.0 2
assign (resid  84 and name N   and segid SF1 ) (resid  84 and name CA  and segid SF1 )
       (resid  84 and name C   and segid SF1 ) (resid  85 and name N   and segid SF1 ) 1.0  -40.0   24.0 2
assign (resid  85 and name N   and segid SF1 ) (resid  85 and name CA  and segid SF1 )
       (resid  85 and name C   and segid SF1 ) (resid  86 and name N   and segid SF1 ) 1.0  -42.0   21.0 2
assign (resid  86 and name N   and segid SF1 ) (resid  86 and name CA  and segid SF1 )
       (resid  86 and name C   and segid SF1 ) (resid  87 and name N   and segid SF1 ) 1.0  -41.0   12.0 2
assign (resid  87 and name N   and segid SF1 ) (resid  87 and name CA  and segid SF1 )
       (resid  87 and name C   and segid SF1 ) (resid  88 and name N   and segid SF1 ) 1.0  -43.0   15.0 2
assign (resid  88 and name N   and segid SF1 ) (resid  88 and name CA  and segid SF1 )
       (resid  88 and name C   and segid SF1 ) (resid  89 and name N   and segid SF1 ) 1.0  -35.0   27.0 2
assign (resid  89 and name N   and segid SF1 ) (resid  89 and name CA  and segid SF1 )
       (resid  89 and name C   and segid SF1 ) (resid  90 and name N   and segid SF1 ) 1.0  -41.0   15.0 2
assign (resid  90 and name N   and segid SF1 ) (resid  90 and name CA  and segid SF1 )
       (resid  90 and name C   and segid SF1 ) (resid  91 and name N   and segid SF1 ) 1.0   -6.0   66.0 2
assign (resid  94 and name N   and segid SF1 ) (resid  94 and name CA  and segid SF1 )
       (resid  94 and name C   and segid SF1 ) (resid  95 and name N   and segid SF1 ) 1.0  -31.0   36.0 2
assign (resid  95 and name N   and segid SF1 ) (resid  95 and name CA  and segid SF1 )
       (resid  95 and name C   and segid SF1 ) (resid  96 and name N   and segid SF1 ) 1.0  -20.0   45.0 2
assign (resid  97 and name N   and segid SF1 ) (resid  97 and name CA  and segid SF1 )
       (resid  97 and name C   and segid SF1 ) (resid  98 and name N   and segid SF1 ) 1.0  127.0   57.0 2
assign (resid  99 and name N   and segid SF1 ) (resid  99 and name CA  and segid SF1 )
       (resid  99 and name C   and segid SF1 ) (resid 100 and name N   and segid SF1 ) 1.0  -29.0   30.0 2
assign (resid 103 and name N   and segid SF1 ) (resid 103 and name CA  and segid SF1 )
       (resid 103 and name C   and segid SF1 ) (resid 104 and name N   and segid SF1 ) 1.0    1.0   57.0 2
assign (resid 106 and name N   and segid SF1 ) (resid 106 and name CA  and segid SF1 )
       (resid 106 and name C   and segid SF1 ) (resid 107 and name N   and segid SF1 ) 1.0  145.0   57.0 2
assign (resid 108 and name N   and segid SF1 ) (resid 108 and name CA  and segid SF1 )
       (resid 108 and name C   and segid SF1 ) (resid 109 and name N   and segid SF1 ) 1.0  -11.0   75.0 2
assign (resid 109 and name N   and segid SF1 ) (resid 109 and name CA  and segid SF1 )
       (resid 109 and name C   and segid SF1 ) (resid 110 and name N   and segid SF1 ) 1.0    4.0   63.0 2
assign (resid 110 and name N   and segid SF1 ) (resid 110 and name CA  and segid SF1 )
       (resid 110 and name C   and segid SF1 ) (resid 111 and name N   and segid SF1 ) 1.0  -40.0   33.0 2
assign (resid 111 and name N   and segid SF1 ) (resid 111 and name CA  and segid SF1 )
       (resid 111 and name C   and segid SF1 ) (resid 112 and name N   and segid SF1 ) 1.0  -35.0   21.0 2
assign (resid 112 and name N   and segid SF1 ) (resid 112 and name CA  and segid SF1 )
       (resid 112 and name C   and segid SF1 ) (resid 113 and name N   and segid SF1 ) 1.0  -42.0   12.0 2
assign (resid 113 and name N   and segid SF1 ) (resid 113 and name CA  and segid SF1 )
       (resid 113 and name C   and segid SF1 ) (resid 114 and name N   and segid SF1 ) 1.0  -41.0   15.0 2
assign (resid 114 and name N   and segid SF1 ) (resid 114 and name CA  and segid SF1 )
       (resid 114 and name C   and segid SF1 ) (resid 115 and name N   and segid SF1 ) 1.0  -41.0   21.0 2
assign (resid 115 and name N   and segid SF1 ) (resid 115 and name CA  and segid SF1 )
       (resid 115 and name C   and segid SF1 ) (resid 116 and name N   and segid SF1 ) 1.0  -41.0   15.0 2
assign (resid 116 and name N   and segid SF1 ) (resid 116 and name CA  and segid SF1 )
       (resid 116 and name C   and segid SF1 ) (resid 117 and name N   and segid SF1 ) 1.0  -39.0   12.0 2
assign (resid 117 and name N   and segid SF1 ) (resid 117 and name CA  and segid SF1 )
       (resid 117 and name C   and segid SF1 ) (resid 118 and name N   and segid SF1 ) 1.0  -40.0   21.0 2
assign (resid 118 and name N   and segid SF1 ) (resid 118 and name CA  and segid SF1 )
       (resid 118 and name C   and segid SF1 ) (resid 119 and name N   and segid SF1 ) 1.0  -41.0   30.0 2
assign (resid 119 and name N   and segid SF1 ) (resid 119 and name CA  and segid SF1 )
       (resid 119 and name C   and segid SF1 ) (resid 120 and name N   and segid SF1 ) 1.0  -40.0   21.0 2
assign (resid 120 and name N   and segid SF1 ) (resid 120 and name CA  and segid SF1 )
       (resid 120 and name C   and segid SF1 ) (resid 121 and name N   and segid SF1 ) 1.0  -34.0   27.0 2
assign (resid 121 and name N   and segid SF1 ) (resid 121 and name CA  and segid SF1 )
       (resid 121 and name C   and segid SF1 ) (resid 122 and name N   and segid SF1 ) 1.0  -35.0   45.0 2
assign (resid  27 and name SG  and segid SF1 ) (resid  30 and name SG  and segid SF1 )
       (resid  44 and name SG  and segid SF1 ) (resid  47 and name SG  and segid SF1 ) 1.0  -70.5  5.0 2
assign (resid  63 and name SG  and segid SF1 ) (resid  69 and name SG  and segid SF1 )
       (resid  82 and name SG  and segid SF1 ) (resid  79 and name SG  and segid SF1 ) 1.0  -70.5  5.0 2
!G1
!gamma
assign (resid  1 and name O5' and segid SBS) (resid  1 and name C5' and segid SBS)
       (resid  1 and name C4' and segid SBS) (resid  1 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid  1 and name C4' and segid SBS) (resid  1 and name C3' and segid SBS)
       (resid  1 and name O3' and segid SBS) (resid  2 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid  1 and name C3' and segid SBS) (resid  1 and name O3' and segid SBS)
       (resid  2 and name   P and segid SBS) (resid  2 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!G2
!alpha
assign (resid  1 and name O3' and segid SBS) (resid  2 and name   P and segid SBS)
       (resid  2 and name O5' and segid SBS) (resid  2 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid  2 and name   P and segid SBS) (resid  2 and name O5' and segid SBS)
       (resid  2 and name C5' and segid SBS) (resid  2 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid  2 and name O5' and segid SBS) (resid  2 and name C5' and segid SBS)
       (resid  2 and name C4' and segid SBS) (resid  2 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid  2 and name C4' and segid SBS) (resid  2 and name C3' and segid SBS)
       (resid  2 and name O3' and segid SBS) (resid  3 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid  2 and name C3' and segid SBS) (resid  2 and name O3' and segid SBS)
       (resid  3 and name   P and segid SBS) (resid  3 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!C3
!alpha
assign (resid  2 and name O3' and segid SBS) (resid  3 and name   P and segid SBS)
       (resid  3 and name O5' and segid SBS) (resid  3 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid  3 and name   P and segid SBS) (resid  3 and name O5' and segid SBS)
       (resid  3 and name C5' and segid SBS) (resid  3 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid  3 and name O5' and segid SBS) (resid  3 and name C5' and segid SBS)
       (resid  3 and name C4' and segid SBS) (resid  3 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid  3 and name C4' and segid SBS) (resid  3 and name C3' and segid SBS)
       (resid  3 and name O3' and segid SBS) (resid  4 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid  3 and name C3' and segid SBS) (resid  3 and name O3' and segid SBS)
       (resid  4 and name   P and segid SBS) (resid  4 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!T4
!alpha
assign (resid  3 and name O3' and segid SBS) (resid  4 and name   P and segid SBS)
       (resid  4 and name O5' and segid SBS) (resid  4 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid  4 and name   P and segid SBS) (resid  4 and name O5' and segid SBS)
       (resid  4 and name C5' and segid SBS) (resid  4 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid  4 and name O5' and segid SBS) (resid  4 and name C5' and segid SBS)
       (resid  4 and name C4' and segid SBS) (resid  4 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid  4 and name C4' and segid SBS) (resid  4 and name C3' and segid SBS)
       (resid  4 and name O3' and segid SBS) (resid  5 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid  4 and name C3' and segid SBS) (resid  4 and name O3' and segid SBS)
       (resid  5 and name   P and segid SBS) (resid  5 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!C5
!alpha
assign (resid  4 and name O3' and segid SBS) (resid  5 and name   P and segid SBS)
       (resid  5 and name O5' and segid SBS) (resid  5 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid  5 and name   P and segid SBS) (resid  5 and name O5' and segid SBS)
       (resid  5 and name C5' and segid SBS) (resid  5 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid  5 and name O5' and segid SBS) (resid  5 and name C5' and segid SBS)
       (resid  5 and name C4' and segid SBS) (resid  5 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid  5 and name C4' and segid SBS) (resid  5 and name C3' and segid SBS)
       (resid  5 and name O3' and segid SBS) (resid  6 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid  5 and name C3' and segid SBS) (resid  5 and name O3' and segid SBS)
       (resid  6 and name   P and segid SBS) (resid  6 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!A6
!alpha
assign (resid  5 and name O3' and segid SBS) (resid  6 and name   P and segid SBS)
       (resid  6 and name O5' and segid SBS) (resid  6 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid  6 and name   P and segid SBS) (resid  6 and name O5' and segid SBS)
       (resid  6 and name C5' and segid SBS) (resid  6 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid  6 and name O5' and segid SBS) (resid  6 and name C5' and segid SBS)
       (resid  6 and name C4' and segid SBS) (resid  6 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid  6 and name C4' and segid SBS) (resid  6 and name C3' and segid SBS)
       (resid  6 and name O3' and segid SBS) (resid  7 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid  6 and name C3' and segid SBS) (resid  6 and name O3' and segid SBS)
       (resid  7 and name   P and segid SBS) (resid  7 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!G7
!alpha
assign (resid  6 and name O3' and segid SBS) (resid  7 and name   P and segid SBS)
       (resid  7 and name O5' and segid SBS) (resid  7 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid  7 and name   P and segid SBS) (resid  7 and name O5' and segid SBS)
       (resid  7 and name C5' and segid SBS) (resid  7 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid  7 and name O5' and segid SBS) (resid  7 and name C5' and segid SBS)
       (resid  7 and name C4' and segid SBS) (resid  7 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid  7 and name C4' and segid SBS) (resid  7 and name C3' and segid SBS)
       (resid  7 and name O3' and segid SBS) (resid  8 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid  7 and name C3' and segid SBS) (resid  7 and name O3' and segid SBS)
       (resid  8 and name   P and segid SBS) (resid  8 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!G8
!alpha
assign (resid  7 and name O3' and segid SBS) (resid  8 and name   P and segid SBS)
       (resid  8 and name O5' and segid SBS) (resid  8 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid  8 and name   P and segid SBS) (resid  8 and name O5' and segid SBS)
       (resid  8 and name C5' and segid SBS) (resid  8 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid  8 and name O5' and segid SBS) (resid  8 and name C5' and segid SBS)
       (resid  8 and name C4' and segid SBS) (resid  8 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid  8 and name C4' and segid SBS) (resid  8 and name C3' and segid SBS)
       (resid  8 and name O3' and segid SBS) (resid  9 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid  8 and name C3' and segid SBS) (resid  8 and name O3' and segid SBS)
       (resid  9 and name   P and segid SBS) (resid  9 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!G9
!alpha
assign (resid  8 and name O3' and segid SBS) (resid  9 and name   P and segid SBS)
       (resid  9 and name O5' and segid SBS) (resid  9 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid  9 and name   P and segid SBS) (resid  9 and name O5' and segid SBS)
       (resid  9 and name C5' and segid SBS) (resid  9 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid  9 and name O5' and segid SBS) (resid  9 and name C5' and segid SBS)
       (resid  9 and name C4' and segid SBS) (resid  9 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid  9 and name C4' and segid SBS) (resid  9 and name C3' and segid SBS)
       (resid  9 and name O3' and segid SBS) (resid 10 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid  9 and name C3' and segid SBS) (resid  9 and name O3' and segid SBS)
       (resid 10 and name   P and segid SBS) (resid 10 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!C10
!alpha
assign (resid  9 and name O3' and segid SBS) (resid 10 and name   P and segid SBS)
       (resid 10 and name O5' and segid SBS) (resid 10 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 10 and name   P and segid SBS) (resid 10 and name O5' and segid SBS)
       (resid 10 and name C5' and segid SBS) (resid 10 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 10 and name O5' and segid SBS) (resid 10 and name C5' and segid SBS)
       (resid 10 and name C4' and segid SBS) (resid 10 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 10 and name C4' and segid SBS) (resid 10 and name C3' and segid SBS)
       (resid 10 and name O3' and segid SBS) (resid 11 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 10 and name C3' and segid SBS) (resid 10 and name O3' and segid SBS)
       (resid 11 and name   P and segid SBS) (resid 11 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!C11
!alpha
assign (resid 10 and name O3' and segid SBS) (resid 11 and name   P and segid SBS)
       (resid 11 and name O5' and segid SBS) (resid 11 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 11 and name   P and segid SBS) (resid 11 and name O5' and segid SBS)
       (resid 11 and name C5' and segid SBS) (resid 11 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 11 and name O5' and segid SBS) (resid 11 and name C5' and segid SBS)
       (resid 11 and name C4' and segid SBS) (resid 11 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 11 and name C4' and segid SBS) (resid 11 and name C3' and segid SBS)
       (resid 11 and name O3' and segid SBS) (resid 12 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 11 and name C3' and segid SBS) (resid 11 and name O3' and segid SBS)
       (resid 12 and name   P and segid SBS) (resid 12 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!A12
!alpha
assign (resid 11 and name O3' and segid SBS) (resid 12 and name   P and segid SBS)
       (resid 12 and name O5' and segid SBS) (resid 12 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 12 and name   P and segid SBS) (resid 12 and name O5' and segid SBS)
       (resid 12 and name C5' and segid SBS) (resid 12 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 12 and name O5' and segid SBS) (resid 12 and name C5' and segid SBS)
       (resid 12 and name C4' and segid SBS) (resid 12 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 12 and name C4' and segid SBS) (resid 12 and name C3' and segid SBS)
       (resid 12 and name O3' and segid SBS) (resid 13 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 12 and name C3' and segid SBS) (resid 12 and name O3' and segid SBS)
       (resid 13 and name   P and segid SBS) (resid 13 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!C13
!alpha
assign (resid 12 and name O3' and segid SBS) (resid 13 and name   P and segid SBS)
       (resid 13 and name O5' and segid SBS) (resid 13 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 13 and name   P and segid SBS) (resid 13 and name O5' and segid SBS)
       (resid 13 and name C5' and segid SBS) (resid 13 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 13 and name O5' and segid SBS) (resid 13 and name C5' and segid SBS)
       (resid 13 and name C4' and segid SBS) (resid 13 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 13 and name C4' and segid SBS) (resid 13 and name C3' and segid SBS)
       (resid 13 and name O3' and segid SBS) (resid 14 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 13 and name C3' and segid SBS) (resid 13 and name O3' and segid SBS)
       (resid 14 and name   P and segid SBS) (resid 14 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!A14
!alpha
assign (resid 13 and name O3' and segid SBS) (resid 14 and name   P and segid SBS)
       (resid 14 and name O5' and segid SBS) (resid 14 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 14 and name   P and segid SBS) (resid 14 and name O5' and segid SBS)
       (resid 14 and name C5' and segid SBS) (resid 14 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 14 and name O5' and segid SBS) (resid 14 and name C5' and segid SBS)
       (resid 14 and name C4' and segid SBS) (resid 14 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 14 and name C4' and segid SBS) (resid 14 and name C3' and segid SBS)
       (resid 14 and name O3' and segid SBS) (resid 15 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 14 and name C3' and segid SBS) (resid 14 and name O3' and segid SBS)
       (resid 15 and name   P and segid SBS) (resid 15 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!G15
!alpha
assign (resid 14 and name O3' and segid SBS) (resid 15 and name   P and segid SBS)
       (resid 15 and name O5' and segid SBS) (resid 15 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 15 and name   P and segid SBS) (resid 15 and name O5' and segid SBS)
       (resid 15 and name C5' and segid SBS) (resid 15 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 15 and name O5' and segid SBS) (resid 15 and name C5' and segid SBS)
       (resid 15 and name C4' and segid SBS) (resid 15 and name C3' and segid SBS) 1.0   60.0   35.0 2
!C16
!gamma
assign (resid 16 and name O5' and segid SBS) (resid 16 and name C5' and segid SBS)
       (resid 16 and name C4' and segid SBS) (resid 16 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 16 and name C4' and segid SBS) (resid 16 and name C3' and segid SBS)
       (resid 16 and name O3' and segid SBS) (resid 17 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 16 and name C3' and segid SBS) (resid 16 and name O3' and segid SBS)
       (resid 17 and name   P and segid SBS) (resid 17 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!T17
!alpha
assign (resid 16 and name O3' and segid SBS) (resid 17 and name   P and segid SBS)
       (resid 17 and name O5' and segid SBS) (resid 17 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 17 and name   P and segid SBS) (resid 17 and name O5' and segid SBS)
       (resid 17 and name C5' and segid SBS) (resid 17 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 17 and name O5' and segid SBS) (resid 17 and name C5' and segid SBS)
       (resid 17 and name C4' and segid SBS) (resid 17 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 17 and name C4' and segid SBS) (resid 17 and name C3' and segid SBS)
       (resid 17 and name O3' and segid SBS) (resid 18 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 17 and name C3' and segid SBS) (resid 17 and name O3' and segid SBS)
       (resid 18 and name   P and segid SBS) (resid 18 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!G18
!alpha
assign (resid 17 and name O3' and segid SBS) (resid 18 and name   P and segid SBS)
       (resid 18 and name O5' and segid SBS) (resid 18 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 18 and name   P and segid SBS) (resid 18 and name O5' and segid SBS)
       (resid 18 and name C5' and segid SBS) (resid 18 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 18 and name O5' and segid SBS) (resid 18 and name C5' and segid SBS)
       (resid 18 and name C4' and segid SBS) (resid 18 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 18 and name C4' and segid SBS) (resid 18 and name C3' and segid SBS)
       (resid 18 and name O3' and segid SBS) (resid 19 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 18 and name C3' and segid SBS) (resid 18 and name O3' and segid SBS)
       (resid 19 and name   P and segid SBS) (resid 19 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!T19
!alpha
assign (resid 18 and name O3' and segid SBS) (resid 19 and name   P and segid SBS)
       (resid 19 and name O5' and segid SBS) (resid 19 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 19 and name   P and segid SBS) (resid 19 and name O5' and segid SBS)
       (resid 19 and name C5' and segid SBS) (resid 19 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 19 and name O5' and segid SBS) (resid 19 and name C5' and segid SBS)
       (resid 19 and name C4' and segid SBS) (resid 19 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 19 and name C4' and segid SBS) (resid 19 and name C3' and segid SBS)
       (resid 19 and name O3' and segid SBS) (resid 20 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 19 and name C3' and segid SBS) (resid 19 and name O3' and segid SBS)
       (resid 20 and name   P and segid SBS) (resid 20 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!G20
!alpha
assign (resid 19 and name O3' and segid SBS) (resid 20 and name   P and segid SBS)
       (resid 20 and name O5' and segid SBS) (resid 20 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 20 and name   P and segid SBS) (resid 20 and name O5' and segid SBS)
       (resid 20 and name C5' and segid SBS) (resid 20 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 20 and name O5' and segid SBS) (resid 20 and name C5' and segid SBS)
       (resid 20 and name C4' and segid SBS) (resid 20 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 20 and name C4' and segid SBS) (resid 20 and name C3' and segid SBS)
       (resid 20 and name O3' and segid SBS) (resid 21 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 20 and name C3' and segid SBS) (resid 20 and name O3' and segid SBS)
       (resid 21 and name   P and segid SBS) (resid 21 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!G21
!alpha
assign (resid 20 and name O3' and segid SBS) (resid 21 and name   P and segid SBS)
       (resid 21 and name O5' and segid SBS) (resid 21 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 21 and name   P and segid SBS) (resid 21 and name O5' and segid SBS)
       (resid 21 and name C5' and segid SBS) (resid 21 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 21 and name O5' and segid SBS) (resid 21 and name C5' and segid SBS)
       (resid 21 and name C4' and segid SBS) (resid 21 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 21 and name C4' and segid SBS) (resid 21 and name C3' and segid SBS)
       (resid 21 and name O3' and segid SBS) (resid 22 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 21 and name C3' and segid SBS) (resid 21 and name O3' and segid SBS)
       (resid 22 and name   P and segid SBS) (resid 22 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!C22
!alpha
assign (resid 21 and name O3' and segid SBS) (resid 22 and name   P and segid SBS)
       (resid 22 and name O5' and segid SBS) (resid 22 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 22 and name   P and segid SBS) (resid 22 and name O5' and segid SBS)
       (resid 22 and name C5' and segid SBS) (resid 22 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 22 and name O5' and segid SBS) (resid 22 and name C5' and segid SBS)
       (resid 22 and name C4' and segid SBS) (resid 22 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 22 and name C4' and segid SBS) (resid 22 and name C3' and segid SBS)
       (resid 22 and name O3' and segid SBS) (resid 23 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 22 and name C3' and segid SBS) (resid 22 and name O3' and segid SBS)
       (resid 23 and name   P and segid SBS) (resid 23 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!C23
!alpha
assign (resid 22 and name O3' and segid SBS) (resid 23 and name   P and segid SBS)
       (resid 23 and name O5' and segid SBS) (resid 23 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 23 and name   P and segid SBS) (resid 23 and name O5' and segid SBS)
       (resid 23 and name C5' and segid SBS) (resid 23 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 23 and name O5' and segid SBS) (resid 23 and name C5' and segid SBS)
       (resid 23 and name C4' and segid SBS) (resid 23 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 23 and name C4' and segid SBS) (resid 23 and name C3' and segid SBS)
       (resid 23 and name O3' and segid SBS) (resid 24 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 23 and name C3' and segid SBS) (resid 23 and name O3' and segid SBS)
       (resid 24 and name   P and segid SBS) (resid 24 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!C24
!alpha
assign (resid 23 and name O3' and segid SBS) (resid 24 and name   P and segid SBS)
       (resid 24 and name O5' and segid SBS) (resid 24 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 24 and name   P and segid SBS) (resid 24 and name O5' and segid SBS)
       (resid 24 and name C5' and segid SBS) (resid 24 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 24 and name O5' and segid SBS) (resid 24 and name C5' and segid SBS)
       (resid 24 and name C4' and segid SBS) (resid 24 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 24 and name C4' and segid SBS) (resid 24 and name C3' and segid SBS)
       (resid 24 and name O3' and segid SBS) (resid 25 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 24 and name C3' and segid SBS) (resid 24 and name O3' and segid SBS)
       (resid 25 and name   P and segid SBS) (resid 25 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!T25
!alpha
assign (resid 24 and name O3' and segid SBS) (resid 25 and name   P and segid SBS)
       (resid 25 and name O5' and segid SBS) (resid 25 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 25 and name   P and segid SBS) (resid 25 and name O5' and segid SBS)
       (resid 25 and name C5' and segid SBS) (resid 25 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 25 and name O5' and segid SBS) (resid 25 and name C5' and segid SBS)
       (resid 25 and name C4' and segid SBS) (resid 25 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 25 and name C4' and segid SBS) (resid 25 and name C3' and segid SBS)
       (resid 25 and name O3' and segid SBS) (resid 26 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 25 and name C3' and segid SBS) (resid 25 and name O3' and segid SBS)
       (resid 26 and name   P and segid SBS) (resid 26 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!G26
!alpha
assign (resid 25 and name O3' and segid SBS) (resid 26 and name   P and segid SBS)
       (resid 26 and name O5' and segid SBS) (resid 26 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 26 and name   P and segid SBS) (resid 26 and name O5' and segid SBS)
       (resid 26 and name C5' and segid SBS) (resid 26 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 26 and name O5' and segid SBS) (resid 26 and name C5' and segid SBS)
       (resid 26 and name C4' and segid SBS) (resid 26 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 26 and name C4' and segid SBS) (resid 26 and name C3' and segid SBS)
       (resid 26 and name O3' and segid SBS) (resid 27 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 26 and name C3' and segid SBS) (resid 26 and name O3' and segid SBS)
       (resid 27 and name   P and segid SBS) (resid 27 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!A27
!alpha
assign (resid 26 and name O3' and segid SBS) (resid 27 and name   P and segid SBS)
       (resid 27 and name O5' and segid SBS) (resid 27 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 27 and name   P and segid SBS) (resid 27 and name O5' and segid SBS)
       (resid 27 and name C5' and segid SBS) (resid 27 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 27 and name O5' and segid SBS) (resid 27 and name C5' and segid SBS)
       (resid 27 and name C4' and segid SBS) (resid 27 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 27 and name C4' and segid SBS) (resid 27 and name C3' and segid SBS)
       (resid 27 and name O3' and segid SBS) (resid 28 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 27 and name C3' and segid SBS) (resid 27 and name O3' and segid SBS)
       (resid 28 and name   P and segid SBS) (resid 28 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!G28
!alpha
assign (resid 27 and name O3' and segid SBS) (resid 28 and name   P and segid SBS)
       (resid 28 and name O5' and segid SBS) (resid 28 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 28 and name   P and segid SBS) (resid 28 and name O5' and segid SBS)
       (resid 28 and name C5' and segid SBS) (resid 28 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 28 and name O5' and segid SBS) (resid 28 and name C5' and segid SBS)
       (resid 28 and name C4' and segid SBS) (resid 28 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 28 and name C4' and segid SBS) (resid 28 and name C3' and segid SBS)
       (resid 28 and name O3' and segid SBS) (resid 29 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 28 and name C3' and segid SBS) (resid 28 and name O3' and segid SBS)
       (resid 29 and name   P and segid SBS) (resid 29 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!C29
!alpha
assign (resid 28 and name O3' and segid SBS) (resid 29 and name   P and segid SBS)
       (resid 29 and name O5' and segid SBS) (resid 29 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 29 and name   P and segid SBS) (resid 29 and name O5' and segid SBS)
       (resid 29 and name C5' and segid SBS) (resid 29 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 29 and name O5' and segid SBS) (resid 29 and name C5' and segid SBS)
       (resid 29 and name C4' and segid SBS) (resid 29 and name C3' and segid SBS) 1.0   60.0   35.0 2
!epsilon
assign (resid 29 and name C4' and segid SBS) (resid 29 and name C3' and segid SBS)
       (resid 29 and name O3' and segid SBS) (resid 30 and name   P and segid SBS) 1.0  180.0   50.0 2
!zeta
assign (resid 29 and name C3' and segid SBS) (resid 29 and name O3' and segid SBS)
       (resid 30 and name   P and segid SBS) (resid 30 and name O5' and segid SBS) 1.0  -85.0   50.0 2
!C30
!alpha
assign (resid 29 and name O3' and segid SBS) (resid 30 and name   P and segid SBS)
       (resid 30 and name O5' and segid SBS) (resid 30 and name C5' and segid SBS) 1.0  -70.0   50.0 2
!beta
assign (resid 30 and name   P and segid SBS) (resid 30 and name O5' and segid SBS)
       (resid 30 and name C5' and segid SBS) (resid 30 and name C4' and segid SBS) 1.0  180.0   50.0 2
!gamma
assign (resid 30 and name O5' and segid SBS) (resid 30 and name C5' and segid SBS)
       (resid 30 and name C4' and segid SBS) (resid 30 and name C3' and segid SBS) 1.0   60.0   35.0 2
!G1
!chi
assign (resid  1 and name  C4 and segid SBS) (resid  1 and name  N9 and segid SBS)
       (resid  1 and name C1' and segid SBS) (resid  1 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid  1 and name C5' and segid SBS) (resid  1 and name C4' and segid SBS)
       (resid  1 and name C3' and segid SBS) (resid  1 and name O3' and segid SBS) 1.0  156.4   30.0 2
!G2
!chi
assign (resid  2 and name  C4 and segid SBS) (resid  2 and name  N9 and segid SBS)
       (resid  2 and name C1' and segid SBS) (resid  2 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid  2 and name C5' and segid SBS) (resid  2 and name C4' and segid SBS)
       (resid  2 and name C3' and segid SBS) (resid  2 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C3
!chi
assign (resid  3 and name  C2 and segid SBS) (resid  3 and name  N1 and segid SBS)
       (resid  3 and name C1' and segid SBS) (resid  3 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid  3 and name C5' and segid SBS) (resid  3 and name C4' and segid SBS)
       (resid  3 and name C3' and segid SBS) (resid  3 and name O3' and segid SBS) 1.0  156.4   30.0 2
!T4
!chi
assign (resid  4 and name  C2 and segid SBS) (resid  4 and name  N1 and segid SBS)
       (resid  4 and name C1' and segid SBS) (resid  4 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid  4 and name C5' and segid SBS) (resid  4 and name C4' and segid SBS)
       (resid  4 and name C3' and segid SBS) (resid  4 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C5
!chi
assign (resid  5 and name  C2 and segid SBS) (resid  5 and name  N1 and segid SBS)
       (resid  5 and name C1' and segid SBS) (resid  5 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid  5 and name C5' and segid SBS) (resid  5 and name C4' and segid SBS)
       (resid  5 and name C3' and segid SBS) (resid  5 and name O3' and segid SBS) 1.0  156.4   30.0 2
!A6
!chi
assign (resid  6 and name  C4 and segid SBS) (resid  6 and name  N9 and segid SBS)
       (resid  6 and name C1' and segid SBS) (resid  6 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid  6 and name C5' and segid SBS) (resid  6 and name C4' and segid SBS)
       (resid  6 and name C3' and segid SBS) (resid  6 and name O3' and segid SBS) 1.0  156.4   30.0 2
!G7
!chi
assign (resid  7 and name  C4 and segid SBS) (resid  7 and name  N9 and segid SBS)
       (resid  7 and name C1' and segid SBS) (resid  7 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid  7 and name C5' and segid SBS) (resid  7 and name C4' and segid SBS)
       (resid  7 and name C3' and segid SBS) (resid  7 and name O3' and segid SBS) 1.0  156.4   30.0 2
!G8
!chi
assign (resid  8 and name  C4 and segid SBS) (resid  8 and name  N9 and segid SBS)
       (resid  8 and name C1' and segid SBS) (resid  8 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid  8 and name C5' and segid SBS) (resid  8 and name C4' and segid SBS)
       (resid  8 and name C3' and segid SBS) (resid  8 and name O3' and segid SBS) 1.0  156.4   30.0 2
!G9
!chi
assign (resid  9 and name  C4 and segid SBS) (resid  9 and name  N9 and segid SBS)
       (resid  9 and name C1' and segid SBS) (resid  9 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid  9 and name C5' and segid SBS) (resid  9 and name C4' and segid SBS)
       (resid  9 and name C3' and segid SBS) (resid  9 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C10
!chi
assign (resid 10 and name  C2 and segid SBS) (resid 10 and name  N1 and segid SBS)
       (resid 10 and name C1' and segid SBS) (resid 10 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 10 and name C5' and segid SBS) (resid 10 and name C4' and segid SBS)
       (resid 10 and name C3' and segid SBS) (resid 10 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C11
!chi
assign (resid 11 and name  C2 and segid SBS) (resid 11 and name  N1 and segid SBS)
       (resid 11 and name C1' and segid SBS) (resid 11 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 11 and name C5' and segid SBS) (resid 11 and name C4' and segid SBS)
       (resid 11 and name C3' and segid SBS) (resid 11 and name O3' and segid SBS) 1.0  156.4   30.0 2
!A12
!chi
assign (resid 12 and name  C4 and segid SBS) (resid 12 and name  N9 and segid SBS)
       (resid 12 and name C1' and segid SBS) (resid 12 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 12 and name C5' and segid SBS) (resid 12 and name C4' and segid SBS)
       (resid 12 and name C3' and segid SBS) (resid 12 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C13
!chi
assign (resid 13 and name  C2 and segid SBS) (resid 13 and name  N1 and segid SBS)
       (resid 13 and name C1' and segid SBS) (resid 13 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 13 and name C5' and segid SBS) (resid 13 and name C4' and segid SBS)
       (resid 13 and name C3' and segid SBS) (resid 13 and name O3' and segid SBS) 1.0  156.4   30.0 2
!A14
!chi
assign (resid 14 and name  C4 and segid SBS) (resid 14 and name  N9 and segid SBS)
       (resid 14 and name C1' and segid SBS) (resid 14 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 14 and name C5' and segid SBS) (resid 14 and name C4' and segid SBS)
       (resid 14 and name C3' and segid SBS) (resid 14 and name O3' and segid SBS) 1.0  156.4   30.0 2
!G15
!chi
assign (resid 15 and name  C4 and segid SBS) (resid 15 and name  N9 and segid SBS)
       (resid 15 and name C1' and segid SBS) (resid 15 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 15 and name C5' and segid SBS) (resid 15 and name C4' and segid SBS)
       (resid 15 and name C3' and segid SBS) (resid 15 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C16
!chi
assign (resid 16 and name  C2 and segid SBS) (resid 16 and name  N1 and segid SBS)
       (resid 16 and name C1' and segid SBS) (resid 16 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 16 and name C5' and segid SBS) (resid 16 and name C4' and segid SBS)
       (resid 16 and name C3' and segid SBS) (resid 16 and name O3' and segid SBS) 1.0  156.4   30.0 2
!T17
!chi
assign (resid 17 and name  C2 and segid SBS) (resid 17 and name  N1 and segid SBS)
       (resid 17 and name C1' and segid SBS) (resid 17 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 17 and name C5' and segid SBS) (resid 17 and name C4' and segid SBS)
       (resid 17 and name C3' and segid SBS) (resid 17 and name O3' and segid SBS) 1.0  156.4   30.0 2
!G18
!chi
assign (resid 18 and name  C4 and segid SBS) (resid 18 and name  N9 and segid SBS)
       (resid 18 and name C1' and segid SBS) (resid 18 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 18 and name C5' and segid SBS) (resid 18 and name C4' and segid SBS)
       (resid 18 and name C3' and segid SBS) (resid 18 and name O3' and segid SBS) 1.0  156.4   30.0 2
!T19
!chi
assign (resid 19 and name  C2 and segid SBS) (resid 19 and name  N1 and segid SBS)
       (resid 19 and name C1' and segid SBS) (resid 19 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 19 and name C5' and segid SBS) (resid 19 and name C4' and segid SBS)
       (resid 19 and name C3' and segid SBS) (resid 19 and name O3' and segid SBS) 1.0  156.4   30.0 2
!G20
!chi
assign (resid 20 and name  C4 and segid SBS) (resid 20 and name  N9 and segid SBS)
       (resid 20 and name C1' and segid SBS) (resid 20 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 20 and name C5' and segid SBS) (resid 20 and name C4' and segid SBS)
       (resid 20 and name C3' and segid SBS) (resid 20 and name O3' and segid SBS) 1.0  156.4   30.0 2
!G21
!chi
assign (resid 21 and name  C4 and segid SBS) (resid 21 and name  N9 and segid SBS)
       (resid 21 and name C1' and segid SBS) (resid 21 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 21 and name C5' and segid SBS) (resid 21 and name C4' and segid SBS)
       (resid 21 and name C3' and segid SBS) (resid 21 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C22
!chi
assign (resid 22 and name  C2 and segid SBS) (resid 22 and name  N1 and segid SBS)
       (resid 22 and name C1' and segid SBS) (resid 22 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 22 and name C5' and segid SBS) (resid 22 and name C4' and segid SBS)
       (resid 22 and name C3' and segid SBS) (resid 22 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C23
!chi
assign (resid 23 and name  C2 and segid SBS) (resid 23 and name  N1 and segid SBS)
       (resid 23 and name C1' and segid SBS) (resid 23 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 23 and name C5' and segid SBS) (resid 23 and name C4' and segid SBS)
       (resid 23 and name C3' and segid SBS) (resid 23 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C24
!chi
assign (resid 24 and name  C2 and segid SBS) (resid 24 and name  N1 and segid SBS)
       (resid 24 and name C1' and segid SBS) (resid 24 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 24 and name C5' and segid SBS) (resid 24 and name C4' and segid SBS)
       (resid 24 and name C3' and segid SBS) (resid 24 and name O3' and segid SBS) 1.0  156.4   30.0 2
!T25
!chi
assign (resid 25 and name  C2 and segid SBS) (resid 25 and name  N1 and segid SBS)
       (resid 25 and name C1' and segid SBS) (resid 25 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 25 and name C5' and segid SBS) (resid 25 and name C4' and segid SBS)
       (resid 25 and name C3' and segid SBS) (resid 25 and name O3' and segid SBS) 1.0  156.4   30.0 2
!G26
!chi
assign (resid 26 and name  C4 and segid SBS) (resid 26 and name  N9 and segid SBS)
       (resid 26 and name C1' and segid SBS) (resid 26 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 26 and name C5' and segid SBS) (resid 26 and name C4' and segid SBS)
       (resid 26 and name C3' and segid SBS) (resid 26 and name O3' and segid SBS) 1.0  156.4   30.0 2
!A27
!chi
assign (resid 27 and name  C4 and segid SBS) (resid 27 and name  N9 and segid SBS)
       (resid 27 and name C1' and segid SBS) (resid 27 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 27 and name C5' and segid SBS) (resid 27 and name C4' and segid SBS)
       (resid 27 and name C3' and segid SBS) (resid 27 and name O3' and segid SBS) 1.0  156.4   30.0 2
!G28
!chi
assign (resid 28 and name  C4 and segid SBS) (resid 28 and name  N9 and segid SBS)
       (resid 28 and name C1' and segid SBS) (resid 28 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 28 and name C5' and segid SBS) (resid 28 and name C4' and segid SBS)
       (resid 28 and name C3' and segid SBS) (resid 28 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C29
!chi
assign (resid 29 and name  C2 and segid SBS) (resid 29 and name  N1 and segid SBS)
       (resid 29 and name C1' and segid SBS) (resid 29 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 29 and name C5' and segid SBS) (resid 29 and name C4' and segid SBS)
       (resid 29 and name C3' and segid SBS) (resid 29 and name O3' and segid SBS) 1.0  156.4   30.0 2
!C30
!chi
assign (resid 30 and name  C2 and segid SBS) (resid 30 and name  N1 and segid SBS)
       (resid 30 and name C1' and segid SBS) (resid 30 and name O4' and segid SBS) 1.0  -98.0   30.0 2
!delta
assign (resid 30 and name C5' and segid SBS) (resid 30 and name C4' and segid SBS)
       (resid 30 and name C3' and segid SBS) (resid 30 and name O3' and segid SBS) 1.0  156.4   30.0 2
! file: plane.dat
! Planar restraints to maintain base pair planarity
! PBM from A. Szewczak
! LAST UPDATE: 11/4/02 JWP
! Adapted for SBS duplex: 7/26/05 IR

! NOTE: $PSCALE MUST BE DEFINED WITHIN THIS FILE OR IN EACH PROTOCOL!
! OTHERWISE THE DEFAULT IS: 300kcal/mol/A^2

evaluate ($pscale = 10)  {was 50}

! G1-C30 WC
!--------------------------------------------------------------------
group
selection=     ((resid  1 and name N1 and segid SBS) or (resid  1 and name N3 and segid SBS) or
  (resid  1 and name C5 and segid SBS) or (resid 30 and name N1 and segid SBS) or
   (resid 30 and name N3 and segid SBS) or (resid 30 and name C5 and segid SBS))
weight = $pscale end

! G2-C29 WC
!--------------------------------------------------------------------
group
selection=     ((resid   2 and name N1 and segid SBS) or (resid  2 and name N3 and segid SBS) or
  (resid   2 and name C5 and segid SBS) or (resid 29 and name N1 and segid SBS) or
   (resid  29 and name N3 and segid SBS) or (resid 29 and name C5 and segid SBS))
weight = $pscale end

! C3-G28 WC
!--------------------------------------------------------------------
group
selection=     ((resid  3 and name N1 and segid SBS) or (resid  3 and name N3 and segid SBS) or
  (resid  3 and name C5 and segid SBS) or (resid 28 and name N1 and segid SBS) or
   (resid 28 and name N3 and segid SBS) or (resid 28 and name C5 and segid SBS))
weight = $pscale end

! T4-A27 WC
!--------------------------------------------------------------------
group
selection=     ((resid  4 and name N1 and segid SBS) or (resid  4 and name N3 and segid SBS) or
  (resid  4 and name C5 and segid SBS) or (resid 27 and name N1 and segid SBS) or
   (resid 27 and name N3 and segid SBS) or (resid 27 and name C5 and segid SBS))
weight = $pscale end

! C5-G26 WC
!--------------------------------------------------------------------
group
selection=     ((resid  5 and name N1 and segid SBS) or (resid  5 and name N3 and segid SBS) or
  (resid  5 and name C5 and segid SBS) or (resid 26 and name N1 and segid SBS) or
   (resid 26 and name N3 and segid SBS) or (resid 26 and name C5 and segid SBS))
weight = $pscale end

! A6-T25 WC
!--------------------------------------------------------------------
group
selection=     ((resid  6 and name N1 and segid SBS) or (resid  6 and name N3 and segid SBS) or
  (resid  6 and name C5 and segid SBS) or (resid 25 and name N1 and segid SBS) or
   (resid 25 and name N3 and segid SBS) or (resid 25 and name C5 and segid SBS))
weight = $pscale end

! G7-C24 WC
!--------------------------------------------------------------------
group
selection=     ((resid  7 and name N1 and segid SBS) or (resid  7 and name N3 and segid SBS) or
  (resid  7 and name C5 and segid SBS) or (resid 24 and name N1 and segid SBS) or
   (resid 24 and name N3 and segid SBS) or (resid 24 and name C5 and segid SBS))
weight = $pscale end

! G8-C23 WC
!--------------------------------------------------------------------
group
selection=     ((resid  8 and name N1 and segid SBS) or (resid  8 and name N3 and segid SBS) or
  (resid  8 and name C5 and segid SBS) or (resid 23 and name N1 and segid SBS) or
   (resid 23 and name N3 and segid SBS) or (resid 23 and name C5 and segid SBS))
weight = $pscale end

! G9-C22 WC
!--------------------------------------------------------------------
group
selection=     ((resid  9 and name N1 and segid SBS) or (resid  9 and name N3 and segid SBS) or
  (resid  9 and name C5 and segid SBS) or (resid 22 and name N1 and segid SBS) or
   (resid 22 and name N3 and segid SBS) or (resid 22 and name C5 and segid SBS))
weight = $pscale end

! C10-G21 WC
!--------------------------------------------------------------------
group
selection=     ((resid 10 and name N1 and segid SBS) or (resid 10 and name N3 and segid SBS) or
  (resid 10 and name C5 and segid SBS) or (resid 21 and name N1 and segid SBS) or
   (resid 21 and name N3 and segid SBS) or (resid 21 and name C5 and segid SBS))
weight = $pscale end

! C11-G20 WC
!--------------------------------------------------------------------
group
selection=     ((resid 11 and name N1 and segid SBS) or (resid 11 and name N3 and segid SBS) or
  (resid 11 and name C5 and segid SBS) or (resid 20 and name N1 and segid SBS) or
   (resid 20 and name N3 and segid SBS) or (resid 20 and name C5 and segid SBS))
weight = $pscale end

! A12-T19 WC
!--------------------------------------------------------------------
group
selection=     ((resid 12 and name N1 and segid SBS) or (resid 12 and name N3 and segid SBS) or
  (resid 12 and name C5 and segid SBS) or (resid 19 and name N1 and segid SBS) or
   (resid 19 and name N3 and segid SBS) or (resid 19 and name C5 and segid SBS))
weight = $pscale end

! C13-G18 WC
!--------------------------------------------------------------------
group
selection=     ((resid 13 and name N1 and segid SBS) or (resid 13 and name N3 and segid SBS) or
  (resid 13 and name C5 and segid SBS) or (resid 18 and name N1 and segid SBS) or
   (resid 18 and name N3 and segid SBS) or (resid 18 and name C5 and segid SBS))
weight = $pscale end

! A14-T17 WC
!--------------------------------------------------------------------
group
selection=     ((resid 14 and name N1 and segid SBS) or (resid 14 and name N3 and segid SBS) or
  (resid 14 and name C5 and segid SBS) or (resid 17 and name N1 and segid SBS) or
   (resid 17 and name N3 and segid SBS) or (resid 17 and name C5 and segid SBS))
weight = $pscale end

! G15-C16 WC
!--------------------------------------------------------------------
group
selection=     ((resid 15 and name N1 and segid SBS) or (resid 15 and name N3 and segid SBS) or
  (resid 15 and name C5 and segid SBS) or (resid 16 and name N1 and segid SBS) or
   (resid 16 and name N3 and segid SBS) or (resid 16 and name C5 and segid SBS))
weight = $pscale end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  29.494   4.747  -0.937
    2   2H5*    G   1          2H5*        G   1  29.206   3.155  -0.211
    3    H4*    G   1           H4*        G   1  28.720   4.993   1.316
    4    H3*    G   1           H3*        G   1  27.185   2.758   1.082
    5    H1*    G   1           H1*        G   1  25.664   6.300   1.284
    6    H8     G   1           H8         G   1  25.607   4.923  -2.344
    7    H1     G   1           H1         G   1  21.712   9.883  -1.146
    8   1H2     G   1          1H2         G   1  21.914  10.515   0.951
    9   2H2     G   1          2H2         G   1  23.016   9.733   2.062
   10    H5T    G   1           H5T        G   1  28.204   4.139  -2.450
   11   1H2*    G   1          1H2*        G   1  25.428   3.668  -0.253
   12   2H2*    G   1          2H2*        G   1  24.815   4.052   1.349
   13   1H5*    G   2          1H5*        G   2  26.211   5.699   3.832
   14   2H5*    G   2          2H5*        G   2  26.193   5.562   5.602
   15    H4*    G   2           H4*        G   2  24.547   7.083   5.321
   16    H3*    G   2           H3*        G   2  23.505   4.567   5.927
   17    H1*    G   2           H1*        G   2  22.021   7.215   3.586
   18    H8     G   2           H8         G   2  23.518   4.336   1.468
   19    H1     G   2           H1         G   2  18.892   7.780  -1.354
   20   1H2     G   2          1H2         G   2  18.091   9.270   0.061
   21   2H2     G   2          2H2         G   2  18.695   9.424   1.695
   22   1H2*    G   2          1H2*        G   2  22.362   4.186   3.888
   23   2H2*    G   2          2H2*        G   2  21.165   5.223   4.651
   24   1H5*    C   3          1H5*        C   3  20.896   8.559   6.746
   25   2H5*    C   3          2H5*        C   3  20.383   8.216   8.411
   26    H4*    C   3           H4*        C   3  18.762   9.638   7.427
   27    H3*    C   3           H3*        C   3  17.948   7.404   8.652
   28    H1*    C   3           H1*        C   3  16.618   8.146   5.052
   29   1H4     C   3          1H4         C   3  18.516   4.455   0.281
   30   2H4     C   3          2H4         C   3  19.694   3.638   1.284
   31    H5     C   3           H5         C   3  20.049   4.204   3.611
   32    H6     C   3           H6         C   3  19.370   5.679   5.431
   33   1H2*    C   3          1H2*        C   3  17.829   5.943   6.765
   34   2H2*    C   3          2H2*        C   3  16.185   6.569   6.768
   35   1H5*    T   4          1H5*        T   4  15.983   9.073   4.867
   36   2H5*    T   4          2H5*        T   4  15.496  10.216   6.137
   37    H4*    T   4           H4*        T   4  14.138  10.924   4.476
   38    H3*    T   4           H3*        T   4  12.680   9.748   6.362
   39   1H2*    T   4          1H2*        T   4  12.648   7.512   5.511
   40   2H2*    T   4          2H2*        T   4  11.176   8.139   4.780
   41    H1*    T   4           H1*        T   4  12.184   8.484   2.671
   42    H3     T   4           H3         T   4  13.251   4.591   0.786
   43   1H5M    T   4          1H5M        T   4  15.177   3.786   5.398
   44   2H5M    T   4          2H5M        T   4  16.301   3.532   4.040
   45   3H5M    T   4          3H5M        T   4  16.420   5.006   5.033
   46    H6     T   4           H6         T   4  14.552   6.674   4.876
   47   1H5*    C   5          1H5*        C   5  11.308   9.704   1.463
   48   2H5*    C   5          2H5*        C   5  10.124  10.946   1.926
   49    H4*    C   5           H4*        C   5   9.223   9.760   0.087
   50    H3*    C   5           H3*        C   5   7.690  10.063   2.235
   51    H1*    C   5           H1*        C   5   8.112   6.457   0.832
   52   1H4     C   5          1H4         C   5  11.920   2.292   3.710
   53   2H4     C   5          2H4         C   5  12.039   3.311   5.131
   54    H5     C   5           H5         C   5  11.014   5.503   5.266
   55    H6     C   5           H6         C   5   9.691   7.164   4.065
   56   1H2*    C   5          1H2*        C   5   8.310   8.057   3.413
   57   2H2*    C   5          2H2*        C   5   6.867   7.518   2.567
   58   1H5*    A   6          1H5*        A   6   6.533   7.601  -1.044
   59   2H5*    A   6          2H5*        A   6   5.145   8.165  -1.994
   60    H4*    A   6           H4*        A   6   5.059   6.029  -2.625
   61    H3*    A   6           H3*        A   6   3.220   6.404  -0.540
   62    H1*    A   6           H1*        A   6   5.464   3.291  -1.187
   63    H8     A   6           H8         A   6   6.264   5.227   2.089
   64   1H6     A   6          1H6         A   6   9.469   0.186   3.686
   65   2H6     A   6          2H6         A   6   8.961   1.787   4.176
   66    H2     A   6           H2         A   6   7.748  -0.499  -0.409
   67   1H2*    A   6          1H2*        A   6   4.114   4.901   1.023
   68   2H2*    A   6          2H2*        A   6   3.423   3.679  -0.036
   69   1H5*    G   7          1H5*        G   7   4.920   2.931  -3.828
   70   2H5*    G   7          2H5*        G   7   3.237   2.911  -4.400
   71    H4*    G   7           H4*        G   7   4.559   0.886  -4.985
   72    H3*    G   7           H3*        G   7   1.947   0.888  -4.477
   73    H1*    G   7           H1*        G   7   4.188  -1.533  -2.404
   74    H8     G   7           H8         G   7   3.221   1.704  -0.498
   75    H1     G   7           H1         G   7   6.235  -2.824   2.913
   76   1H2     G   7          1H2         G   7   6.786  -4.509   1.590
   77   2H2     G   7          2H2         G   7   6.404  -4.512  -0.117
   78   1H2*    G   7          1H2*        G   7   2.040   0.602  -2.092
   79   2H2*    G   7          2H2*        G   7   1.860  -1.065  -2.620
   80   1H5*    G   8          1H5*        G   8   4.897  -3.425  -4.749
   81   2H5*    G   8          2H5*        G   8   3.650  -3.967  -5.892
   82    H4*    G   8           H4*        G   8   4.875  -5.837  -4.920
   83    H3*    G   8           H3*        G   8   2.236  -5.912  -5.327
   84    H1*    G   8           H1*        G   8   3.571  -6.810  -1.783
   85    H8     G   8           H8         G   8   1.839  -3.380  -2.033
   86    H1     G   8           H1         G   8   3.935  -4.986   3.814
   87   1H2     G   8          1H2         G   8   5.108  -6.849   3.713
   88   2H2     G   8          2H2         G   8   5.369  -7.705   2.210
   89   1H2*    G   8          1H2*        G   8   1.524  -5.056  -3.206
   90   2H2*    G   8          2H2*        G   8   1.465  -6.787  -2.899
   91   1H5*    G   9          1H5*        G   9   4.476  -8.156  -2.070
   92   2H5*    G   9          2H5*        G   9   4.684  -9.471  -3.245
   93    H4*    G   9           H4*        G   9   5.447 -10.498  -1.381
   94    H3*    G   9           H3*        G   9   3.156 -11.616  -2.136
   95    H1*    G   9           H1*        G   9   3.352 -10.334   1.627
   96    H8     G   9           H8         G   9   1.693  -8.043  -1.008
   97    H1     G   9           H1         G   9   0.956  -6.249   5.113
   98   1H2     G   9          1H2         G   9   2.020  -7.645   6.445
   99   2H2     G   9          2H2         G   9   2.912  -9.020   5.834
  100   1H2*    G   9          1H2*        G   9   1.595 -10.383  -0.828
  101   2H2*    G   9          2H2*        G   9   1.950 -11.672   0.312
  102   1H5*    C  10          1H5*        C  10   4.697 -13.316   2.217
  103   2H5*    C  10          2H5*        C  10   4.200 -15.021   2.213
  104    H4*    C  10           H4*        C  10   3.892 -13.933   4.389
  105    H3*    C  10           H3*        C  10   2.079 -15.641   3.218
  106    H1*    C  10           H1*        C  10   1.104 -12.361   5.051
  107   1H4     C  10          1H4         C  10  -2.086  -7.901   1.900
  108   2H4     C  10          2H4         C  10  -1.849  -8.711   0.365
  109    H5     C  10           H5         C  10  -0.575 -10.764   0.146
  110    H6     C  10           H6         C  10   0.704 -12.452   1.354
  111   1H2*    C  10          1H2*        C  10   0.409 -14.071   2.621
  112   2H2*    C  10          2H2*        C  10  -0.056 -14.306   4.300
  113   1H5*    C  11          1H5*        C  11   1.174 -12.470   6.543
  114   2H5*    C  11          2H5*        C  11   2.171 -13.774   7.225
  115    H4*    C  11           H4*        C  11   1.660 -12.754   9.160
  116    H3*    C  11           H3*        C  11   0.254 -14.989   9.083
  117    H1*    C  11           H1*        C  11  -1.949 -11.630   9.385
  118   1H4     C  11          1H4         C  11  -4.512  -9.889   3.877
  119   2H4     C  11          2H4         C  11  -3.719 -11.189   3.013
  120    H5     C  11           H5         C  11  -2.244 -12.777   4.097
  121    H6     C  11           H6         C  11  -1.197 -13.404   6.210
  122   1H2*    C  11          1H2*        C  11  -1.755 -14.293   8.030
  123   2H2*    C  11          2H2*        C  11  -2.196 -13.913   9.689
  124   1H5*    A  12          1H5*        A  12  -0.719 -12.295  12.349
  125   2H5*    A  12          2H5*        A  12  -0.781 -12.826  14.045
  126    H4*    A  12           H4*        A  12  -2.480 -11.284  13.929
  127    H3*    A  12           H3*        A  12  -3.309 -13.922  14.296
  128    H1*    A  12           H1*        A  12  -5.091 -11.195  12.220
  129    H8     A  12           H8         A  12  -3.715 -14.106  10.040
  130   1H6     A  12          1H6         A  12  -7.214 -11.723   5.540
  131   2H6     A  12          2H6         A  12  -6.102 -13.002   5.979
  132    H2     A  12           H2         A  12  -7.696  -9.143   9.186
  133   1H2*    A  12          1H2*        A  12  -4.520 -14.196  12.290
  134   2H2*    A  12          2H2*        A  12  -5.744 -13.296  13.173
  135   1H5*    C  13          1H5*        C  13  -5.483 -10.474  15.264
  136   2H5*    C  13          2H5*        C  13  -6.359 -10.068  16.755
  137    H4*    C  13           H4*        C  13  -7.506  -8.988  15.031
  138    H3*    C  13           H3*        C  13  -8.901 -10.851  16.516
  139    H1*    C  13           H1*        C  13  -9.251 -10.327  12.717
  140   1H4     C  13          1H4         C  13  -8.247 -15.104   8.689
  141   2H4     C  13          2H4         C  13  -7.373 -16.031   9.890
  142    H5     C  13           H5         C  13  -7.008 -15.238  12.148
  143    H6     C  13           H6         C  13  -7.401 -13.406  13.709
  144   1H2*    C  13          1H2*        C  13  -9.144 -12.522  14.846
  145   2H2*    C  13          2H2*        C  13 -10.505 -11.502  14.399
  146   1H5*    A  14          1H5*        A  14 -11.375  -7.661  13.609
  147   2H5*    A  14          2H5*        A  14 -12.622  -7.245  14.803
  148    H4*    A  14           H4*        A  14 -13.512  -6.975  12.599
  149    H3*    A  14           H3*        A  14 -14.926  -8.279  14.457
  150    H1*    A  14           H1*        A  14 -14.490  -9.880  10.972
  151    H8     A  14           H8         A  14 -12.053 -11.439  13.566
  152   1H6     A  14          1H6         A  14 -11.122 -15.785   9.246
  153   2H6     A  14          2H6         A  14 -10.720 -15.263  10.868
  154    H2     A  14           H2         A  14 -13.951 -12.731   7.574
  155   1H2*    A  14          1H2*        A  14 -14.169 -10.509  13.943
  156   2H2*    A  14          2H2*        A  14 -15.656 -10.422  13.007
  157   1H5*    G  15          1H5*        G  15 -16.703  -7.827   9.810
  158   2H5*    G  15          2H5*        G  15 -18.334  -7.357  10.331
  159    H4*    G  15           H4*        G  15 -18.386  -8.288   8.111
  160    H3*    G  15           H3*        G  15 -20.173  -9.012  10.004
  161    H1*    G  15           H1*        G  15 -18.376 -11.724   7.843
  162    H8     G  15           H8         G  15 -16.823 -11.274  11.371
  163    H1     G  15           H1         G  15 -15.310 -16.698   8.279
  164   1H2     G  15          1H2         G  15 -16.301 -16.745   6.311
  165   2H2     G  15          2H2         G  15 -17.342 -15.452   5.758
  166    H3T    G  15           H3T        G  15 -20.722 -10.420   7.819
  167   1H2*    G  15          1H2*        G  15 -19.221 -11.076  10.694
  168   2H2*    G  15          2H2*        G  15 -20.204 -11.656   9.357
  169   1H5*    C  16          1H5*        C  16 -14.828 -24.527   6.044
  170   2H5*    C  16          2H5*        C  16 -13.532 -24.841   4.879
  171    H4*    C  16           H4*        C  16 -15.261 -23.403   3.959
  172    H3*    C  16           H3*        C  16 -12.643 -22.998   3.521
  173    H1*    C  16           H1*        C  16 -14.869 -20.022   4.702
  174   1H4     C  16          1H4         C  16 -13.893 -17.544  10.447
  175   2H4     C  16          2H4         C  16 -12.898 -18.895  10.937
  176    H5     C  16           H5         C  16 -12.436 -20.783   9.493
  177    H6     C  16           H6         C  16 -12.831 -21.751   7.290
  178    H5T    C  16           H5T        C  16 -12.192 -24.023   6.244
  179   1H2*    C  16          1H2*        C  16 -12.207 -21.401   5.246
  180   2H2*    C  16          2H2*        C  16 -12.637 -20.317   3.929
  181   1H5*    T  17          1H5*        T  17 -15.785 -19.405   3.196
  182   2H5*    T  17          2H5*        T  17 -15.795 -19.614   1.432
  183    H4*    T  17           H4*        T  17 -16.536 -17.461   1.674
  184    H3*    T  17           H3*        T  17 -14.183 -17.629   0.388
  185   1H2*    T  17          1H2*        T  17 -12.680 -17.145   2.165
  186   2H2*    T  17          2H2*        T  17 -13.008 -15.502   1.633
  187    H1*    T  17           H1*        T  17 -14.537 -15.072   3.371
  188    H3     T  17           H3         T  17 -12.753 -15.170   7.456
  189   1H5M    T  17          1H5M        T  17 -10.511 -19.070   6.739
  190   2H5M    T  17          2H5M        T  17 -10.276 -19.012   4.975
  191   3H5M    T  17          3H5M        T  17 -11.639 -19.927   5.661
  192    H6     T  17           H6         T  17 -12.601 -18.194   3.774
  193   1H5*    G  18          1H5*        G  18 -15.816 -13.703   1.834
  194   2H5*    G  18          2H5*        G  18 -15.951 -12.556   0.486
  195    H4*    G  18           H4*        G  18 -15.699 -11.251   2.405
  196    H3*    G  18           H3*        G  18 -13.678 -11.105   0.453
  197    H1*    G  18           H1*        G  18 -13.321 -10.858   4.307
  198    H8     G  18           H8         G  18 -11.824 -14.137   2.873
  199    H1     G  18           H1         G  18  -9.678 -12.343   8.653
  200   1H2     G  18          1H2         G  18 -10.597 -10.422   9.236
  201   2H2     G  18          2H2         G  18 -11.730  -9.578   8.202
  202   1H2*    G  18          1H2*        G  18 -11.850 -11.750   1.787
  203   2H2*    G  18          2H2*        G  18 -12.016 -10.132   2.459
  204   1H5*    T  19          1H5*        T  19 -14.948  -8.261   3.309
  205   2H5*    T  19          2H5*        T  19 -15.426  -6.649   2.737
  206    H4*    T  19           H4*        T  19 -15.127  -6.439   5.039
  207    H3*    T  19           H3*        T  19 -13.636  -4.828   3.443
  208   1H2*    T  19          1H2*        T  19 -11.538  -5.946   3.599
  209   2H2*    T  19          2H2*        T  19 -11.417  -4.928   5.029
  210    H1*    T  19           H1*        T  19 -12.074  -6.663   6.510
  211    H3     T  19           H3         T  19  -8.633  -9.481   6.739
  212   1H5M    T  19          1H5M        T  19  -8.764 -10.137   2.102
  213   2H5M    T  19          2H5M        T  19 -10.224 -11.109   2.404
  214   3H5M    T  19          3H5M        T  19 -10.361  -9.510   1.632
  215    H6     T  19           H6         T  19 -11.576  -8.240   3.195
  216   1H5*    G  20          1H5*        G  20 -12.467  -4.046   7.761
  217   2H5*    G  20          2H5*        G  20 -12.344  -2.305   8.080
  218    H4*    G  20           H4*        G  20 -10.439  -3.279   9.019
  219    H3*    G  20           H3*        G  20 -10.063  -1.433   6.912
  220    H1*    G  20           H1*        G  20  -8.025  -4.469   7.952
  221    H8     G  20           H8         G  20  -9.441  -4.993   4.360
  222    H1     G  20           H1         G  20  -4.822  -9.033   6.261
  223   1H2     G  20          1H2         G  20  -4.223  -8.560   8.334
  224   2H2     G  20          2H2         G  20  -4.957  -7.254   9.240
  225   1H2*    G  20          1H2*        G  20  -8.885  -2.894   5.469
  226   2H2*    G  20          2H2*        G  20  -7.555  -2.543   6.564
  227   1H5*    G  21          1H5*        G  21  -7.061  -4.296   8.829
  228   2H5*    G  21          2H5*        G  21  -7.388  -3.079  10.080
  229    H4*    G  21           H4*        G  21  -5.638  -4.044  11.085
  230    H3*    G  21           H3*        G  21  -4.765  -1.722  10.114
  231    H1*    G  21           H1*        G  21  -2.730  -4.935   9.248
  232    H8     G  21           H8         G  21  -4.956  -3.644   6.360
  233    H1     G  21           H1         G  21  -1.222  -8.684   5.005
  234   1H2     G  21          1H2         G  21  -0.166  -9.357   6.822
  235   2H2     G  21          2H2         G  21  -0.380  -8.566   8.369
  236   1H2*    G  21          1H2*        G  21  -4.004  -2.484   7.968
  237   2H2*    G  21          2H2*        G  21  -2.516  -2.588   8.897
  238   1H5*    C  22          1H5*        C  22  -1.943  -4.567  12.257
  239   2H5*    C  22          2H5*        C  22  -1.072  -3.695  13.535
  240    H4*    C  22           H4*        C  22   0.215  -5.589  13.055
  241    H3*    C  22           H3*        C  22   1.442  -3.212  12.877
  242    H1*    C  22           H1*        C  22   1.839  -5.774   9.953
  243   1H4     C  22          1H4         C  22  -0.779  -4.409   4.356
  244   2H4     C  22          2H4         C  22  -1.626  -3.028   5.013
  245    H5     C  22           H5         C  22  -1.521  -2.411   7.347
  246    H6     C  22           H6         C  22  -0.570  -2.981   9.518
  247   1H2*    C  22          1H2*        C  22   1.243  -2.844  10.524
  248   2H2*    C  22          2H2*        C  22   2.787  -3.684  10.571
  249   1H5*    C  23          1H5*        C  23   3.202  -7.167  10.590
  250   2H5*    C  23          2H5*        C  23   4.318  -7.294  11.967
  251    H4*    C  23           H4*        C  23   5.390  -8.483  10.307
  252    H3*    C  23           H3*        C  23   6.777  -6.387  11.192
  253    H1*    C  23           H1*        C  23   6.211  -6.644   7.277
  254   1H4     C  23          1H4         C  23   2.176  -2.466   4.780
  255   2H4     C  23          2H4         C  23   1.739  -1.841   6.355
  256    H5     C  23           H5         C  23   2.642  -2.732   8.419
  257    H6     C  23           H6         C  23   4.129  -4.408   9.384
  258   1H2*    C  23          1H2*        C  23   6.124  -4.727   9.614
  259   2H2*    C  23          2H2*        C  23   7.516  -5.387   8.767
  260   1H5*    C  24          1H5*        C  24   7.725  -8.563   7.201
  261   2H5*    C  24          2H5*        C  24   9.195  -9.353   7.809
  262    H4*    C  24           H4*        C  24   9.334  -9.576   5.505
  263    H3*    C  24           H3*        C  24  11.399  -8.331   6.604
  264    H1*    C  24           H1*        C  24   9.586  -6.451   3.655
  265   1H4     C  24          1H4         C  24   5.850  -1.557   5.099
  266   2H4     C  24          2H4         C  24   6.202  -1.713   6.805
  267    H5     C  24           H5         C  24   7.608  -3.466   7.705
  268    H6     C  24           H6         C  24   8.952  -5.425   7.154
  269   1H2*    C  24          1H2*        C  24  10.621  -6.066   6.477
  270   2H2*    C  24          2H2*        C  24  11.525  -6.172   4.974
  271   1H5*    T  25          1H5*        T  25  10.927  -8.742   2.473
  272   2H5*    T  25          2H5*        T  25  12.062  -9.579   1.393
  273    H4*    T  25           H4*        T  25  10.954  -8.203  -0.055
  274    H3*    T  25           H3*        T  25  13.604  -7.486   0.367
  275   1H2*    T  25          1H2*        T  25  13.217  -5.413   1.460
  276   2H2*    T  25          2H2*        T  25  13.045  -4.868  -0.203
  277    H1*    T  25           H1*        T  25  10.642  -5.115  -0.171
  278    H3     T  25           H3         T  25   9.139  -1.537   2.006
  279   1H5M    T  25          1H5M        T  25  11.093  -3.959   5.953
  280   2H5M    T  25          2H5M        T  25  12.720  -3.819   5.245
  281   3H5M    T  25          3H5M        T  25  11.806  -2.353   5.675
  282    H6     T  25           H6         T  25  12.031  -5.113   3.274
  283   1H5*    G  26          1H5*        G  26  11.405  -5.938  -2.834
  284   2H5*    G  26          2H5*        G  26  11.762  -6.151  -4.559
  285    H4*    G  26           H4*        G  26  10.922  -4.068  -4.640
  286    H3*    G  26           H3*        G  26  13.739  -3.961  -4.713
  287    H1*    G  26           H1*        G  26  11.226  -1.541  -3.203
  288    H8     G  26           H8         G  26  13.166  -3.254  -0.305
  289    H1     G  26           H1         G  26  10.524   2.449   1.015
  290   1H2     G  26          1H2         G  26   9.514   3.239  -0.783
  291   2H2     G  26          2H2         G  26   9.496   2.368  -2.300
  292   1H2*    G  26          1H2*        G  26  14.029  -2.691  -2.735
  293   2H2*    G  26          2H2*        G  26  13.573  -1.368  -3.800
  294   1H5*    A  27          1H5*        A  27  10.895  -1.098  -6.984
  295   2H5*    A  27          2H5*        A  27  11.667  -0.634  -8.514
  296    H4*    A  27           H4*        A  27  10.009   0.993  -7.861
  297    H3*    A  27           H3*        A  27  12.402   1.733  -8.800
  298    H1*    A  27           H1*        A  27  11.190   3.294  -5.398
  299    H8     A  27           H8         A  27  13.360   0.104  -4.952
  300   1H6     A  27          1H6         A  27  14.504   2.290   0.718
  301   2H6     A  27          2H6         A  27  14.788   0.977  -0.406
  302    H2     A  27           H2         A  27  11.857   5.235  -1.399
  303   1H2*    A  27          1H2*        A  27  13.590   2.017  -6.748
  304   2H2*    A  27          2H2*        A  27  12.943   3.641  -6.941
  305   1H5*    G  28          1H5*        G  28  10.731   4.751  -6.328
  306   2H5*    G  28          2H5*        G  28   9.930   5.932  -7.386
  307    H4*    G  28           H4*        G  28  10.404   7.353  -5.733
  308    H3*    G  28           H3*        G  28  12.454   7.544  -7.654
  309    H1*    G  28           H1*        G  28  12.708   7.811  -3.808
  310    H8     G  28           H8         G  28  14.429   4.620  -5.195
  311    H1     G  28           H1         G  28  16.291   6.493   0.658
  312   1H2     G  28          1H2         G  28  15.226   8.324   1.248
  313   2H2     G  28          2H2         G  28  14.055   9.099   0.205
  314   1H2*    G  28          1H2*        G  28  14.267   6.930  -6.285
  315   2H2*    G  28          2H2*        G  28  14.064   8.550  -5.631
  316   1H5*    C  29          1H5*        C  29  11.653  10.365  -4.760
  317   2H5*    C  29          2H5*        C  29  11.361  12.111  -4.901
  318    H4*    C  29           H4*        C  29  12.450  11.915  -2.882
  319    H3*    C  29           H3*        C  29  13.918  13.194  -4.910
  320    H1*    C  29           H1*        C  29  15.208  10.920  -2.068
  321   1H4     C  29          1H4         C  29  18.982   6.033  -3.492
  322   2H4     C  29          2H4         C  29  18.306   5.897  -5.098
  323    H5     C  29           H5         C  29  16.634   7.420  -5.956
  324    H6     C  29           H6         C  29  15.238   9.348  -5.432
  325   1H2*    C  29          1H2*        C  29  15.768  11.734  -4.963
  326   2H2*    C  29          2H2*        C  29  16.210  12.574  -3.483
  327   1H5*    C  30          1H5*        C  30  14.825  13.425  -0.635
  328   2H5*    C  30          2H5*        C  30  14.554  15.080  -0.050
  329    H4*    C  30           H4*        C  30  15.940  14.224   1.556
  330    H3*    C  30           H3*        C  30  17.051  16.244   0.180
  331    H1*    C  30           H1*        C  30  19.090  12.987   0.791
  332   1H4     C  30          1H4         C  30  20.603   9.282  -4.112
  333   2H4     C  30          2H4         C  30  19.415  10.045  -5.150
  334    H5     C  30           H5         C  30  17.989  11.856  -4.404
  335    H6     C  30           H6         C  30  17.398  13.282  -2.514
  336    H3T    C  30           H3T        C  30  17.355  16.121   2.334
  337   1H2*    C  30          1H2*        C  30  18.339  14.984  -1.386
  338   2H2*    C  30          2H2*        C  30  19.518  15.162  -0.093
  339   1H    ASP  10          1H        ASP  10  -5.022  12.105  10.657
  340    HA   ASP  10           HA       ASP  10  -7.677  12.453  11.846
  341   1HB   ASP  10          1HB       ASP  10  -7.217  14.905  11.475
  342   2HB   ASP  10          2HB       ASP  10  -6.127  14.104  12.601
  343    H    GLU  11           H        GLU  11  -6.306  11.812   8.882
  344    HA   GLU  11           HA       GLU  11  -8.533  13.105   7.476
  345   1HB   GLU  11          1HB       GLU  11  -5.965  11.977   6.364
  346   2HB   GLU  11          2HB       GLU  11  -7.261  12.674   5.404
  347   1HG   GLU  11          1HG       GLU  11  -6.974  14.794   6.556
  348   2HG   GLU  11          2HG       GLU  11  -5.631  14.110   7.468
  349    H    LEU  12           H        LEU  12  -9.805  11.965   6.067
  350    HA   LEU  12           HA       LEU  12  -9.872   9.065   6.561
  351   1HB   LEU  12          1HB       LEU  12 -12.144  10.911   5.809
  352   2HB   LEU  12          2HB       LEU  12 -12.279   9.191   6.115
  353    HG   LEU  12           HG       LEU  12 -11.504  11.278   8.156
  354   1HD1  LEU  12          1HD1      LEU  12 -13.678  10.781   9.154
  355   2HD1  LEU  12          2HD1      LEU  12 -14.046   9.695   7.816
  356   3HD1  LEU  12          3HD1      LEU  12 -13.849  11.422   7.520
  357   1HD2  LEU  12          1HD2      LEU  12 -11.992   8.317   8.458
  358   2HD2  LEU  12          2HD2      LEU  12 -11.699   9.454   9.774
  359   3HD2  LEU  12          3HD2      LEU  12 -10.434   9.132   8.588
  360    H    CYS  13           H        CYS  13 -10.436   7.700   4.814
  361    HA   CYS  13           HA       CYS  13  -9.288   8.400   2.328
  362   1HB   CYS  13          1HB       CYS  13 -11.206   6.131   2.889
  363   2HB   CYS  13          2HB       CYS  13 -10.049   6.233   1.567
  364    HG   CYS  13           HG       CYS  13  -9.022   6.206   4.822
  365    HA   PRO  14           HA       PRO  14 -12.710  10.513   0.455
  366   1HB   PRO  14          1HB       PRO  14 -11.946  10.229  -2.158
  367   2HB   PRO  14          2HB       PRO  14 -11.260  11.424  -1.055
  368   1HG   PRO  14          1HG       PRO  14 -10.165   8.781  -1.909
  369   2HG   PRO  14          2HG       PRO  14  -9.318  10.314  -1.640
  370   1HD   PRO  14          1HD       PRO  14  -9.294   8.282   0.158
  371   2HD   PRO  14          2HD       PRO  14  -9.189   9.989   0.631
  372    H    VAL  15           H        VAL  15 -11.951   7.214  -0.050
  373    HA   VAL  15           HA       VAL  15 -14.467   6.799  -1.482
  374    HB   VAL  15           HB       VAL  15 -12.973   5.700  -2.768
  375   1HG1  VAL  15          1HG1      VAL  15 -11.010   4.464  -2.054
  376   2HG1  VAL  15          2HG1      VAL  15 -11.381   4.871  -0.382
  377   3HG1  VAL  15          3HG1      VAL  15 -10.995   6.147  -1.534
  378   1HG2  VAL  15          1HG2      VAL  15 -13.674   3.556  -0.794
  379   2HG2  VAL  15          2HG2      VAL  15 -13.049   3.274  -2.418
  380   3HG2  VAL  15          3HG2      VAL  15 -14.619   4.048  -2.200
  381    H    CYS  16           H        CYS  16 -12.772   4.580   0.701
  382    HA   CYS  16           HA       CYS  16 -15.235   3.599   1.700
  383   1HB   CYS  16          1HB       CYS  16 -13.911   2.190   3.161
  384   2HB   CYS  16          2HB       CYS  16 -13.201   2.216   1.550
  385    HG   CYS  16           HG       CYS  16 -11.660   2.589   4.277
  386    H    GLY  17           H        GLY  17 -12.964   5.977   2.914
  387   1HA   GLY  17          1HA       GLY  17 -13.612   7.752   4.316
  388   2HA   GLY  17          2HA       GLY  17 -14.993   6.803   4.840
  389    H    ASP  18           H        ASP  18 -12.053   5.062   4.873
  390    HA   ASP  18           HA       ASP  18 -12.103   5.022   7.766
  391   1HB   ASP  18          1HB       ASP  18 -10.303   3.587   5.807
  392   2HB   ASP  18          2HB       ASP  18 -10.240   3.378   7.553
  393    H    LYS  19           H        LYS  19 -10.097   5.217   9.004
  394    HA   LYS  19           HA       LYS  19  -8.806   7.693   8.578
  395   1HB   LYS  19          1HB       LYS  19  -8.224   5.385  10.431
  396   2HB   LYS  19          2HB       LYS  19  -7.239   6.838  10.410
  397   1HG   LYS  19          1HG       LYS  19  -8.796   7.031  12.195
  398   2HG   LYS  19          2HG       LYS  19  -9.289   8.155  10.930
  399   1HD   LYS  19          1HD       LYS  19 -10.962   6.518  10.162
  400   2HD   LYS  19          2HD       LYS  19 -10.488   5.441  11.478
  401   1HE   LYS  19          1HE       LYS  19 -11.187   7.081  13.114
  402   2HE   LYS  19          2HE       LYS  19 -11.564   8.235  11.835
  403   1HZ   LYS  19          1HZ       LYS  19 -12.915   5.624  12.252
  404   2HZ   LYS  19          2HZ       LYS  19 -13.275   6.735  11.027
  405   3HZ   LYS  19          3HZ       LYS  19 -13.553   7.144  12.650
  406    H    VAL  20           H        VAL  20  -7.019   8.202   7.475
  407    HA   VAL  20           HA       VAL  20  -5.968   6.217   5.702
  408    HB   VAL  20           HB       VAL  20  -4.700   8.008   4.684
  409   1HG1  VAL  20          1HG1      VAL  20  -6.553   9.485   4.067
  410   2HG1  VAL  20          2HG1      VAL  20  -7.496   8.854   5.418
  411   3HG1  VAL  20          3HG1      VAL  20  -7.034   7.789   4.089
  412   1HG2  VAL  20          1HG2      VAL  20  -4.784  10.303   5.542
  413   2HG2  VAL  20          2HG2      VAL  20  -3.990   9.214   6.680
  414   3HG2  VAL  20          3HG2      VAL  20  -5.650   9.734   6.970
  415    H    SER  21           H        SER  21  -4.054   5.203   5.712
  416    HA   SER  21           HA       SER  21  -2.392   5.497   8.078
  417   1HB   SER  21          1HB       SER  21  -1.193   3.486   7.008
  418   2HB   SER  21          2HB       SER  21  -2.838   3.231   7.587
  419    HG   SER  21           HG       SER  21  -2.366   2.394   5.434
  420    H    GLY  22           H        GLY  22  -2.544   6.638   4.909
  421   1HA   GLY  22          1HA       GLY  22  -0.698   8.518   4.925
  422   2HA   GLY  22          2HA       GLY  22   0.335   7.110   4.725
  423    H    TYR  23           H        TYR  23   0.924   8.286   2.739
  424    HA   TYR  23           HA       TYR  23  -0.946   8.515   0.603
  425   1HB   TYR  23          1HB       TYR  23   2.015   8.800   0.876
  426   2HB   TYR  23          2HB       TYR  23   1.328   8.631  -0.734
  427    HD1  TYR  23           HD1      TYR  23   0.438  10.473  -1.836
  428    HD2  TYR  23           HD2      TYR  23   1.101  10.691   2.359
  429    HE1  TYR  23           HE1      TYR  23  -0.076  12.875  -1.887
  430    HE2  TYR  23           HE2      TYR  23   0.588  13.094   2.320
  431    HH   TYR  23           HH       TYR  23  -0.593  14.677  -0.599
  432    H    HIS  24           H        HIS  24  -1.848   6.811  -0.309
  433    HA   HIS  24           HA       HIS  24  -0.058   4.690  -1.281
  434   1HB   HIS  24          1HB       HIS  24  -2.839   4.198  -0.187
  435   2HB   HIS  24          2HB       HIS  24  -1.766   2.990  -0.875
  436    HD1  HIS  24           HD1      HIS  24   0.808   3.515   0.671
  437    HD2  HIS  24           HD2      HIS  24  -2.964   3.538   2.411
  438    HE1  HIS  24           HE1      HIS  24   1.180   2.985   3.099
  439    HE2  HIS  24           HE2      HIS  24  -1.140   2.720   4.047
  440    H    TYR  25           H        TYR  25  -0.185   4.543  -3.415
  441    HA   TYR  25           HA       TYR  25  -0.979   4.441  -5.526
  442   1HB   TYR  25          1HB       TYR  25  -3.694   4.290  -4.196
  443   2HB   TYR  25          2HB       TYR  25  -3.354   3.896  -5.879
  444    HD1  TYR  25           HD1      TYR  25  -3.069   2.781  -2.412
  445    HD2  TYR  25           HD2      TYR  25  -2.112   1.859  -6.450
  446    HE1  TYR  25           HE1      TYR  25  -2.508   0.485  -1.748
  447    HE2  TYR  25           HE2      TYR  25  -1.548  -0.442  -5.798
  448    HH   TYR  25           HH       TYR  25  -0.827  -1.655  -3.771
  449    H    GLY  26           H        GLY  26  -0.823   7.043  -3.981
  450   1HA   GLY  26          1HA       GLY  26  -0.684   9.123  -5.137
  451   2HA   GLY  26          2HA       GLY  26  -2.054   8.631  -6.118
  452    H    LEU  27           H        LEU  27  -2.790   7.807  -3.008
  453    HA   LEU  27           HA       LEU  27  -3.979  10.418  -2.388
  454   1HB   LEU  27          1HB       LEU  27  -5.383   7.865  -2.977
  455   2HB   LEU  27          2HB       LEU  27  -6.042   8.896  -1.722
  456    HG   LEU  27           HG       LEU  27  -5.482   9.928  -4.489
  457   1HD1  LEU  27          1HD1      LEU  27  -8.033   8.726  -3.424
  458   2HD1  LEU  27          2HD1      LEU  27  -6.999   8.021  -4.666
  459   3HD1  LEU  27          3HD1      LEU  27  -7.841   9.538  -4.978
  460   1HD2  LEU  27          1HD2      LEU  27  -5.770  11.592  -2.742
  461   2HD2  LEU  27          2HD2      LEU  27  -7.279  10.824  -2.242
  462   3HD2  LEU  27          3HD2      LEU  27  -7.162  11.592  -3.828
  463    H    LEU  28           H        LEU  28  -4.645  10.689  -0.210
  464    HA   LEU  28           HA       LEU  28  -3.371   9.106   1.788
  465   1HB   LEU  28          1HB       LEU  28  -5.610  11.133   1.957
  466   2HB   LEU  28          2HB       LEU  28  -4.960  10.312   3.357
  467    HG   LEU  28           HG       LEU  28  -3.973  12.453   3.309
  468   1HD1  LEU  28          1HD1      LEU  28  -1.595  11.969   3.033
  469   2HD1  LEU  28          2HD1      LEU  28  -2.001  10.476   2.186
  470   3HD1  LEU  28          3HD1      LEU  28  -2.439  10.675   3.884
  471   1HD2  LEU  28          1HD2      LEU  28  -3.282  11.935   0.422
  472   2HD2  LEU  28          2HD2      LEU  28  -2.742  13.324   1.366
  473   3HD2  LEU  28          3HD2      LEU  28  -4.459  13.095   1.038
  474    H    THR  29           H        THR  29  -3.941   7.038   2.002
  475    HA   THR  29           HA       THR  29  -6.787   6.403   2.215
  476    HB   THR  29           HB       THR  29  -6.331   4.308   0.834
  477    HG1  THR  29           HG1      THR  29  -4.322   5.683  -0.509
  478   1HG2  THR  29          1HG2      THR  29  -6.672   5.465  -1.305
  479   2HG2  THR  29          2HG2      THR  29  -6.182   6.989  -0.563
  480   3HG2  THR  29          3HG2      THR  29  -7.657   6.180  -0.029
  481    H    CYS  30           H        CYS  30  -7.121   4.184   3.087
  482    HA   CYS  30           HA       CYS  30  -5.193   3.697   5.224
  483   1HB   CYS  30          1HB       CYS  30  -7.000   2.336   6.214
  484   2HB   CYS  30          2HB       CYS  30  -7.538   3.975   5.859
  485    HG   CYS  30           HG       CYS  30  -9.641   2.234   5.292
  486    H    GLU  31           H        GLU  31  -5.138   1.243   5.873
  487    HA   GLU  31           HA       GLU  31  -3.966  -0.177   3.706
  488   1HB   GLU  31          1HB       GLU  31  -4.761  -1.124   6.463
  489   2HB   GLU  31          2HB       GLU  31  -3.813  -2.064   5.318
  490   1HG   GLU  31          1HG       GLU  31  -3.036   0.522   6.642
  491   2HG   GLU  31          2HG       GLU  31  -2.325  -1.072   6.894
  492    H    SER  32           H        SER  32  -7.173   0.054   4.939
  493    HA   SER  32           HA       SER  32  -8.225  -2.349   3.890
  494   1HB   SER  32          1HB       SER  32  -9.409  -0.869   5.533
  495   2HB   SER  32          2HB       SER  32  -9.677   0.290   4.231
  496    HG   SER  32           HG       SER  32 -11.036  -1.969   4.834
  497    H    CYS  33           H        CYS  33  -7.974   0.937   2.543
  498    HA   CYS  33           HA       CYS  33  -9.072   0.327   0.014
  499   1HB   CYS  33          1HB       CYS  33  -7.052   2.443   0.798
  500   2HB   CYS  33          2HB       CYS  33  -7.867   2.369  -0.760
  501    HG   CYS  33           HG       CYS  33  -9.410   2.873   2.258
  502    H    LYS  34           H        LYS  34  -5.727   0.575   1.120
  503    HA   LYS  34           HA       LYS  34  -4.401  -0.151  -1.193
  504   1HB   LYS  34          1HB       LYS  34  -3.246   0.781   0.669
  505   2HB   LYS  34          2HB       LYS  34  -3.747  -0.528   1.724
  506   1HG   LYS  34          1HG       LYS  34  -2.213  -2.023   0.780
  507   2HG   LYS  34          2HG       LYS  34  -1.952  -0.992  -0.633
  508   1HD   LYS  34          1HD       LYS  34  -0.647   0.515   0.540
  509   2HD   LYS  34          2HD       LYS  34  -1.341   0.061   2.096
  510   1HE   LYS  34          1HE       LYS  34   0.421  -1.759   0.470
  511   2HE   LYS  34          2HE       LYS  34   1.036  -0.662   1.708
  512   1HZ   LYS  34          1HZ       LYS  34  -0.866  -2.903   2.108
  513   2HZ   LYS  34          2HZ       LYS  34  -0.468  -1.776   3.309
  514   3HZ   LYS  34          3HZ       LYS  34   0.726  -2.803   2.674
  515    H    GLY  35           H        GLY  35  -5.433  -2.302   1.464
  516   1HA   GLY  35          1HA       GLY  35  -4.479  -4.682   0.286
  517   2HA   GLY  35          2HA       GLY  35  -5.677  -4.578   1.565
  518    H    PHE  36           H        PHE  36  -7.756  -3.279   0.337
  519    HA   PHE  36           HA       PHE  36  -8.940  -5.430  -1.078
  520   1HB   PHE  36          1HB       PHE  36 -10.250  -3.888   0.323
  521   2HB   PHE  36          2HB       PHE  36  -9.900  -2.573  -0.792
  522    HD1  PHE  36           HD1      PHE  36 -11.230  -2.219  -2.694
  523    HD2  PHE  36           HD2      PHE  36 -11.601  -5.847  -0.500
  524    HE1  PHE  36           HE1      PHE  36 -13.230  -2.803  -4.003
  525    HE2  PHE  36           HE2      PHE  36 -13.600  -6.436  -1.806
  526    HZ   PHE  36           HZ       PHE  36 -14.417  -4.913  -3.560
  527    H    PHE  37           H        PHE  37  -7.529  -2.362  -2.090
  528    HA   PHE  37           HA       PHE  37  -8.385  -2.393  -4.760
  529   1HB   PHE  37          1HB       PHE  37  -7.217  -0.509  -3.430
  530   2HB   PHE  37          2HB       PHE  37  -5.715  -1.295  -3.903
  531    HD1  PHE  37           HD1      PHE  37  -4.682  -0.016  -5.512
  532    HD2  PHE  37           HD2      PHE  37  -8.887  -0.631  -5.743
  533    HE1  PHE  37           HE1      PHE  37  -4.740   1.202  -7.649
  534    HE2  PHE  37           HE2      PHE  37  -8.950   0.581  -7.880
  535    HZ   PHE  37           HZ       PHE  37  -6.876   1.502  -8.836
  536    H    LYS  38           H        LYS  38  -5.383  -3.623  -3.266
  537    HA   LYS  38           HA       LYS  38  -4.315  -4.753  -5.606
  538   1HB   LYS  38          1HB       LYS  38  -4.010  -5.654  -2.746
  539   2HB   LYS  38          2HB       LYS  38  -3.068  -6.282  -4.087
  540   1HG   LYS  38          1HG       LYS  38  -2.455  -3.772  -4.453
  541   2HG   LYS  38          2HG       LYS  38  -2.937  -3.626  -2.758
  542   1HD   LYS  38          1HD       LYS  38  -0.776  -5.358  -3.935
  543   2HD   LYS  38          2HD       LYS  38  -0.610  -4.067  -2.743
  544   1HE   LYS  38          1HE       LYS  38  -1.513  -5.358  -1.035
  545   2HE   LYS  38          2HE       LYS  38  -2.299  -6.467  -2.158
  546   1HZ   LYS  38          1HZ       LYS  38   0.563  -6.316  -1.443
  547   2HZ   LYS  38          2HZ       LYS  38   0.032  -7.120  -2.833
  548   3HZ   LYS  38          3HZ       LYS  38  -0.489  -7.639  -1.308
  549    H    ARG  39           H        ARG  39  -6.385  -6.191  -3.093
  550    HA   ARG  39           HA       ARG  39  -6.436  -8.786  -4.085
  551   1HB   ARG  39          1HB       ARG  39  -8.481  -7.240  -2.513
  552   2HB   ARG  39          2HB       ARG  39  -8.695  -8.936  -2.928
  553   1HG   ARG  39          1HG       ARG  39  -6.587  -9.455  -1.766
  554   2HG   ARG  39          2HG       ARG  39  -6.465  -7.761  -1.292
  555   1HD   ARG  39          1HD       ARG  39  -8.567  -7.934  -0.079
  556   2HD   ARG  39          2HD       ARG  39  -8.743  -9.610  -0.595
  557    HE   ARG  39           HE       ARG  39  -6.991  -8.585   1.476
  558   1HH1  ARG  39          1HH1      ARG  39  -7.753 -11.275  -0.634
  559   2HH1  ARG  39          2HH1      ARG  39  -7.063 -12.470   0.426
  560   1HH2  ARG  39          1HH2      ARG  39  -6.109 -10.154   2.886
  561   2HH2  ARG  39          2HH2      ARG  39  -6.141 -11.836   2.437
  562    H    THR  40           H        THR  40  -8.275  -5.975  -5.058
  563    HA   THR  40           HA       THR  40 -10.035  -7.465  -6.759
  564    HB   THR  40           HB       THR  40  -9.515  -4.487  -6.747
  565    HG1  THR  40           HG1      THR  40 -10.223  -5.065  -4.706
  566   1HG2  THR  40          1HG2      THR  40 -11.766  -4.344  -7.711
  567   2HG2  THR  40          2HG2      THR  40 -11.878  -6.104  -7.719
  568   3HG2  THR  40          3HG2      THR  40 -10.694  -5.290  -8.743
  569    H    VAL  41           H        VAL  41  -7.383  -5.142  -7.381
  570    HA   VAL  41           HA       VAL  41  -7.587  -5.456 -10.202
  571    HB   VAL  41           HB       VAL  41  -5.281  -4.257  -8.665
  572   1HG1  VAL  41          1HG1      VAL  41  -5.009  -2.886 -10.717
  573   2HG1  VAL  41          2HG1      VAL  41  -6.247  -3.873 -11.497
  574   3HG1  VAL  41          3HG1      VAL  41  -4.727  -4.609 -10.982
  575   1HG2  VAL  41          1HG2      VAL  41  -6.429  -2.116  -8.909
  576   2HG2  VAL  41          2HG2      VAL  41  -7.393  -3.253  -7.965
  577   3HG2  VAL  41          3HG2      VAL  41  -7.802  -2.935  -9.650
  578    H    GLN  42           H        GLN  42  -5.299  -6.755  -7.792
  579    HA   GLN  42           HA       GLN  42  -3.491  -7.824  -9.693
  580   1HB   GLN  42          1HB       GLN  42  -3.979  -8.677  -6.839
  581   2HB   GLN  42          2HB       GLN  42  -2.615  -9.173  -7.825
  582   1HG   GLN  42          1HG       GLN  42  -2.036  -6.725  -8.029
  583   2HG   GLN  42          2HG       GLN  42  -3.249  -6.431  -6.785
  584   1HE2  GLN  42          1HE2      GLN  42  -2.547  -9.065  -5.535
  585   2HE2  GLN  42          2HE2      GLN  42  -1.077  -8.767  -4.676
  586    H    ASN  43           H        ASN  43  -6.210  -9.237  -7.949
  587    HA   ASN  43           HA       ASN  43  -5.800 -11.833  -9.144
  588   1HB   ASN  43          1HB       ASN  43  -8.045 -10.788  -7.405
  589   2HB   ASN  43          2HB       ASN  43  -7.900 -12.455  -7.950
  590   1HD2  ASN  43          1HD2      ASN  43  -6.789 -10.062  -5.750
  591   2HD2  ASN  43          2HD2      ASN  43  -5.758 -11.091  -4.808
  592    H    ASN  44           H        ASN  44  -6.797  -9.117 -10.474
  593    HA   ASN  44           HA       ASN  44  -8.020  -8.530 -12.283
  594   1HB   ASN  44          1HB       ASN  44  -7.656 -11.472 -12.728
  595   2HB   ASN  44          2HB       ASN  44  -8.639 -10.526 -13.838
  596   1HD2  ASN  44          1HD2      ASN  44  -5.455 -11.228 -12.725
  597   2HD2  ASN  44          2HD2      ASN  44  -4.614 -10.284 -13.911
  598    H    LYS  45           H        LYS  45  -9.457  -8.723  -9.939
  599    HA   LYS  45           HA       LYS  45 -11.918 -10.133 -10.427
  600   1HB   LYS  45          1HB       LYS  45 -11.023  -8.190  -8.316
  601   2HB   LYS  45          2HB       LYS  45 -12.686  -8.743  -8.416
  602   1HG   LYS  45          1HG       LYS  45 -11.960 -11.040  -8.116
  603   2HG   LYS  45          2HG       LYS  45 -10.278 -10.511  -8.060
  604   1HD   LYS  45          1HD       LYS  45 -10.563  -9.430  -6.005
  605   2HD   LYS  45          2HD       LYS  45 -12.320  -9.415  -6.157
  606   1HE   LYS  45          1HE       LYS  45 -11.496 -11.061  -4.503
  607   2HE   LYS  45          2HE       LYS  45 -12.426 -11.791  -5.810
  608   1HZ   LYS  45          1HZ       LYS  45 -10.441 -13.071  -5.276
  609   2HZ   LYS  45          2HZ       LYS  45  -9.462 -11.736  -5.644
  610   3HZ   LYS  45          3HZ       LYS  45 -10.377 -12.478  -6.865
  611    H    HIS  46           H        HIS  46 -13.839  -9.311 -11.039
  612    HA   HIS  46           HA       HIS  46 -14.063  -6.462 -11.626
  613   1HB   HIS  46          1HB       HIS  46 -15.005  -6.946 -13.888
  614   2HB   HIS  46          2HB       HIS  46 -13.295  -7.329 -13.747
  615    HD1  HIS  46           HD1      HIS  46 -16.636  -8.879 -14.313
  616    HD2  HIS  46           HD2      HIS  46 -12.680 -10.084 -13.878
  617    HE1  HIS  46           HE1      HIS  46 -16.558 -11.258 -15.120
  618    HE2  HIS  46           HE2      HIS  46 -14.118 -11.878 -15.071
  619    H    TYR  47           H        TYR  47 -15.993  -5.713 -11.046
  620    HA   TYR  47           HA       TYR  47 -18.132  -7.685 -10.590
  621   1HB   TYR  47          1HB       TYR  47 -17.371  -5.333  -8.844
  622   2HB   TYR  47          2HB       TYR  47 -18.814  -6.317  -8.618
  623    HD1  TYR  47           HD1      TYR  47 -18.591  -8.693  -7.937
  624    HD2  TYR  47           HD2      TYR  47 -15.227  -6.095  -8.118
  625    HE1  TYR  47           HE1      TYR  47 -17.306 -10.273  -6.562
  626    HE2  TYR  47           HE2      TYR  47 -13.931  -7.669  -6.742
  627    HH   TYR  47           HH       TYR  47 -14.965 -10.856  -6.123
  628    H    THR  48           H        THR  48 -20.293  -6.423 -10.219
  629    HA   THR  48           HA       THR  48 -20.505  -3.968 -11.754
  630    HB   THR  48           HB       THR  48 -22.120  -6.386 -12.602
  631    HG1  THR  48           HG1      THR  48 -19.595  -5.668 -13.258
  632   1HG2  THR  48          1HG2      THR  48 -22.758  -4.971 -14.501
  633   2HG2  THR  48          2HG2      THR  48 -21.799  -3.647 -13.839
  634   3HG2  THR  48          3HG2      THR  48 -23.220  -4.225 -12.970
  635    H    CYS  49           H        CYS  49 -22.107  -2.714 -10.945
  636    HA   CYS  49           HA       CYS  49 -23.794  -3.860  -8.860
  637   1HB   CYS  49          1HB       CYS  49 -22.520  -1.685  -8.532
  638   2HB   CYS  49          2HB       CYS  49 -23.619  -0.960  -9.700
  639    HG   CYS  49           HG       CYS  49 -25.452  -0.367  -8.013
  640    H    THR  50           H        THR  50 -25.985  -4.042  -9.043
  641    HA   THR  50           HA       THR  50 -27.067  -4.379 -11.606
  642    HB   THR  50           HB       THR  50 -28.756  -3.886  -9.164
  643    HG1  THR  50           HG1      THR  50 -27.682  -6.436  -9.785
  644   1HG2  THR  50          1HG2      THR  50 -30.167  -5.612 -10.192
  645   2HG2  THR  50          2HG2      THR  50 -29.020  -5.757 -11.522
  646   3HG2  THR  50          3HG2      THR  50 -29.913  -4.255 -11.288
  647    H    GLU  51           H        GLU  51 -27.718  -1.850  -9.188
  648    HA   GLU  51           HA       GLU  51 -28.353  -0.025 -11.393
  649   1HB   GLU  51          1HB       GLU  51 -29.825  -0.084  -8.760
  650   2HB   GLU  51          2HB       GLU  51 -30.157   0.961 -10.126
  651   1HG   GLU  51          1HG       GLU  51 -30.803  -0.976 -11.465
  652   2HG   GLU  51          2HG       GLU  51 -30.486  -2.030 -10.088
  653    H    SER  52           H        SER  52 -28.057   2.216 -10.807
  654    HA   SER  52           HA       SER  52 -26.522   3.809 -10.328
  655   1HB   SER  52          1HB       SER  52 -26.277   4.267  -7.860
  656   2HB   SER  52          2HB       SER  52 -27.936   4.160  -8.440
  657    HG   SER  52           HG       SER  52 -27.008   1.736  -7.649
  658    H    GLN  53           H        GLN  53 -24.729   2.951 -11.383
  659    HA   GLN  53           HA       GLN  53 -22.910   1.106 -10.292
  660   1HB   GLN  53          1HB       GLN  53 -22.373   3.355 -12.240
  661   2HB   GLN  53          2HB       GLN  53 -21.297   2.001 -11.930
  662   1HG   GLN  53          1HG       GLN  53 -23.049   0.468 -12.745
  663   2HG   GLN  53          2HG       GLN  53 -24.050   1.867 -13.135
  664   1HE2  GLN  53          1HE2      GLN  53 -23.011  -0.181 -14.905
  665   2HE2  GLN  53          2HE2      GLN  53 -22.046   0.640 -16.089
  666    H    SER  54           H        SER  54 -23.443   4.438  -9.643
  667    HA   SER  54           HA       SER  54 -21.130   4.409  -7.825
  668   1HB   SER  54          1HB       SER  54 -22.430   6.825  -9.109
  669   2HB   SER  54          2HB       SER  54 -21.042   6.848  -8.018
  670    HG   SER  54           HG       SER  54 -20.661   5.143 -10.096
  671    H    CYS  55           H        CYS  55 -22.500   3.342  -6.316
  672    HA   CYS  55           HA       CYS  55 -24.815   4.638  -5.237
  673   1HB   CYS  55          1HB       CYS  55 -23.105   2.454  -4.019
  674   2HB   CYS  55          2HB       CYS  55 -24.730   2.903  -3.518
  675    HG   CYS  55           HG       CYS  55 -24.816   2.165  -6.708
  676    H    LYS  56           H        LYS  56 -24.753   4.913  -2.688
  677    HA   LYS  56           HA       LYS  56 -22.781   6.904  -2.082
  678   1HB   LYS  56          1HB       LYS  56 -25.000   5.626  -0.498
  679   2HB   LYS  56          2HB       LYS  56 -23.856   6.735   0.246
  680   1HG   LYS  56          1HG       LYS  56 -25.593   7.401  -2.117
  681   2HG   LYS  56          2HG       LYS  56 -25.975   7.798  -0.442
  682   1HD   LYS  56          1HD       LYS  56 -23.449   8.698  -1.815
  683   2HD   LYS  56          2HD       LYS  56 -24.931   9.650  -1.812
  684   1HE   LYS  56          1HE       LYS  56 -23.642  10.516  -0.052
  685   2HE   LYS  56          2HE       LYS  56 -24.850   9.497   0.723
  686   1HZ   LYS  56          1HZ       LYS  56 -23.209   7.770   1.006
  687   2HZ   LYS  56          2HZ       LYS  56 -22.612   9.214   1.656
  688   3HZ   LYS  56          3HZ       LYS  56 -22.049   8.669   0.154
  689    H    ILE  57           H        ILE  57 -20.745   6.212  -1.820
  690    HA   ILE  57           HA       ILE  57 -20.171   3.677  -0.600
  691    HB   ILE  57           HB       ILE  57 -18.223   5.900  -1.235
  692   1HG1  ILE  57          1HG1      ILE  57 -19.450   5.225  -3.249
  693   2HG1  ILE  57          2HG1      ILE  57 -17.781   4.671  -3.324
  694   1HG2  ILE  57          1HG2      ILE  57 -17.819   2.944  -0.777
  695   2HG2  ILE  57          2HG2      ILE  57 -17.353   4.243   0.322
  696   3HG2  ILE  57          3HG2      ILE  57 -16.563   4.090  -1.248
  697   1HD1  ILE  57          1HD1      ILE  57 -19.308   2.975  -4.141
  698   2HD1  ILE  57          2HD1      ILE  57 -20.175   2.992  -2.605
  699   3HD1  ILE  57          3HD1      ILE  57 -18.504   2.430  -2.669
  700    H    ASP  58           H        ASP  58 -20.919   3.676   1.428
  701    HA   ASP  58           HA       ASP  58 -19.724   5.597   3.314
  702   1HB   ASP  58          1HB       ASP  58 -22.425   4.264   3.293
  703   2HB   ASP  58          2HB       ASP  58 -21.723   4.858   4.794
  704    H    LYS  59           H        LYS  59 -20.093   4.342   5.685
  705    HA   LYS  59           HA       LYS  59 -17.944   2.495   5.596
  706   1HB   LYS  59          1HB       LYS  59 -19.687   3.621   7.709
  707   2HB   LYS  59          2HB       LYS  59 -18.908   2.089   8.077
  708   1HG   LYS  59          1HG       LYS  59 -17.588   3.963   8.882
  709   2HG   LYS  59          2HG       LYS  59 -16.726   3.075   7.629
  710   1HD   LYS  59          1HD       LYS  59 -16.442   5.454   7.294
  711   2HD   LYS  59          2HD       LYS  59 -17.413   4.781   5.984
  712   1HE   LYS  59          1HE       LYS  59 -18.351   6.890   6.724
  713   2HE   LYS  59          2HE       LYS  59 -19.449   5.565   7.108
  714   1HZ   LYS  59          1HZ       LYS  59 -17.622   6.959   8.990
  715   2HZ   LYS  59          2HZ       LYS  59 -18.553   5.599   9.391
  716   3HZ   LYS  59          3HZ       LYS  59 -19.317   7.048   8.961
  717    H    THR  60           H        THR  60 -21.424   2.082   5.761
  718    HA   THR  60           HA       THR  60 -21.162  -0.787   6.095
  719    HB   THR  60           HB       THR  60 -23.713  -0.673   5.831
  720    HG1  THR  60           HG1      THR  60 -24.599   1.241   5.572
  721   1HG2  THR  60          1HG2      THR  60 -24.009   0.127   8.135
  722   2HG2  THR  60          2HG2      THR  60 -22.383   0.810   8.103
  723   3HG2  THR  60          3HG2      THR  60 -22.609  -0.936   7.994
  724    H    GLN  61           H        GLN  61 -22.300   1.489   3.635
  725    HA   GLN  61           HA       GLN  61 -23.147  -0.558   1.845
  726   1HB   GLN  61          1HB       GLN  61 -22.876   2.423   1.611
  727   2HB   GLN  61          2HB       GLN  61 -23.377   1.426   0.250
  728   1HG   GLN  61          1HG       GLN  61 -25.315   0.687   1.399
  729   2HG   GLN  61          2HG       GLN  61 -24.759   1.388   2.916
  730   1HE2  GLN  61          1HE2      GLN  61 -27.215   1.779   1.326
  731   2HE2  GLN  61          2HE2      GLN  61 -27.322   3.494   1.073
  732    H    ARG  62           H        ARG  62 -20.080   0.634   2.520
  733    HA   ARG  62           HA       ARG  62 -18.962   0.366  -0.105
  734   1HB   ARG  62          1HB       ARG  62 -16.809   0.570   0.971
  735   2HB   ARG  62          2HB       ARG  62 -17.912   1.738   1.685
  736   1HG   ARG  62          1HG       ARG  62 -18.284   0.098   3.550
  737   2HG   ARG  62          2HG       ARG  62 -16.965  -0.858   2.870
  738   1HD   ARG  62          1HD       ARG  62 -15.501   1.140   3.066
  739   2HD   ARG  62          2HD       ARG  62 -16.819   1.975   3.886
  740    HE   ARG  62           HE       ARG  62 -16.224  -0.497   5.161
  741   1HH1  ARG  62          1HH1      ARG  62 -15.241   2.857   4.915
  742   2HH1  ARG  62          2HH1      ARG  62 -14.260   2.796   6.347
  743   1HH2  ARG  62          1HH2      ARG  62 -14.962  -0.540   7.073
  744   2HH2  ARG  62          2HH2      ARG  62 -14.103   0.895   7.561
  745    H    LYS  63           H        LYS  63 -20.072  -1.812   2.200
  746    HA   LYS  63           HA       LYS  63 -18.266  -3.967   1.454
  747   1HB   LYS  63          1HB       LYS  63 -20.602  -3.872   3.365
  748   2HB   LYS  63          2HB       LYS  63 -19.540  -5.252   3.142
  749   1HG   LYS  63          1HG       LYS  63 -18.583  -2.552   4.030
  750   2HG   LYS  63          2HG       LYS  63 -19.060  -3.824   5.141
  751   1HD   LYS  63          1HD       LYS  63 -16.876  -4.033   3.072
  752   2HD   LYS  63          2HD       LYS  63 -16.619  -3.711   4.787
  753   1HE   LYS  63          1HE       LYS  63 -17.935  -6.171   3.663
  754   2HE   LYS  63          2HE       LYS  63 -16.257  -6.072   4.177
  755   1HZ   LYS  63          1HZ       LYS  63 -18.630  -5.667   5.923
  756   2HZ   LYS  63          2HZ       LYS  63 -17.009  -5.575   6.420
  757   3HZ   LYS  63          3HZ       LYS  63 -17.647  -7.051   5.887
  758    H    ARG  64           H        ARG  64 -21.541  -2.886   0.856
  759    HA   ARG  64           HA       ARG  64 -22.409  -5.429  -0.165
  760   1HB   ARG  64          1HB       ARG  64 -24.479  -4.239  -0.797
  761   2HB   ARG  64          2HB       ARG  64 -24.055  -4.032   0.894
  762   1HG   ARG  64          1HG       ARG  64 -23.390  -1.804   0.561
  763   2HG   ARG  64          2HG       ARG  64 -23.354  -1.995  -1.194
  764   1HD   ARG  64          1HD       ARG  64 -25.829  -2.144   0.525
  765   2HD   ARG  64          2HD       ARG  64 -25.331  -0.739  -0.420
  766    HE   ARG  64           HE       ARG  64 -25.500  -3.066  -2.050
  767   1HH1  ARG  64          1HH1      ARG  64 -27.517  -0.671  -0.461
  768   2HH1  ARG  64          2HH1      ARG  64 -28.784  -0.781  -1.650
  769   1HH2  ARG  64          1HH2      ARG  64 -27.156  -3.231  -3.566
  770   2HH2  ARG  64          2HH2      ARG  64 -28.591  -2.257  -3.413
  771    H    CYS  65           H        CYS  65 -21.202  -2.447  -1.539
  772    HA   CYS  65           HA       CYS  65 -21.459  -3.663  -4.206
  773   1HB   CYS  65          1HB       CYS  65 -21.462  -0.747  -3.426
  774   2HB   CYS  65          2HB       CYS  65 -21.394  -1.322  -5.087
  775    HG   CYS  65           HG       CYS  65 -23.941  -1.203  -5.342
  776    HA   PRO  66           HA       PRO  66 -16.913  -3.548  -3.617
  777   1HB   PRO  66          1HB       PRO  66 -17.057  -5.612  -5.713
  778   2HB   PRO  66          2HB       PRO  66 -16.292  -5.680  -4.123
  779   1HG   PRO  66          1HG       PRO  66 -18.534  -7.053  -4.672
  780   2HG   PRO  66          2HG       PRO  66 -18.230  -6.355  -3.069
  781   1HD   PRO  66          1HD       PRO  66 -19.980  -5.342  -5.280
  782   2HD   PRO  66          2HD       PRO  66 -20.282  -5.377  -3.530
  783    H    PHE  67           H        PHE  67 -18.798  -3.810  -6.603
  784    HA   PHE  67           HA       PHE  67 -16.877  -2.784  -8.373
  785   1HB   PHE  67          1HB       PHE  67 -18.820  -3.924  -9.229
  786   2HB   PHE  67          2HB       PHE  67 -19.898  -2.746  -8.490
  787    HD1  PHE  67           HD1      PHE  67 -17.034  -2.834 -10.887
  788    HD2  PHE  67           HD2      PHE  67 -20.794  -1.136  -9.846
  789    HE1  PHE  67           HE1      PHE  67 -17.009  -1.516 -12.963
  790    HE2  PHE  67           HE2      PHE  67 -20.775   0.185 -11.921
  791    HZ   PHE  67           HZ       PHE  67 -18.881  -0.004 -13.482
  792    H    CYS  68           H        CYS  68 -19.480  -1.179  -6.584
  793    HA   CYS  68           HA       CYS  68 -19.007   1.401  -7.594
  794   1HB   CYS  68          1HB       CYS  68 -20.194   0.673  -4.910
  795   2HB   CYS  68          2HB       CYS  68 -20.432   2.177  -5.798
  796    HG   CYS  68           HG       CYS  68 -22.805   0.828  -6.063
  797    H    ARG  69           H        ARG  69 -17.678  -0.360  -4.846
  798    HA   ARG  69           HA       ARG  69 -16.224   1.816  -3.754
  799   1HB   ARG  69          1HB       ARG  69 -16.691  -0.208  -2.453
  800   2HB   ARG  69          2HB       ARG  69 -15.697  -1.158  -3.551
  801   1HG   ARG  69          1HG       ARG  69 -13.722   0.080  -2.874
  802   2HG   ARG  69          2HG       ARG  69 -14.703   1.096  -1.818
  803   1HD   ARG  69          1HD       ARG  69 -15.293  -0.839  -0.470
  804   2HD   ARG  69          2HD       ARG  69 -14.381  -1.892  -1.552
  805    HE   ARG  69           HE       ARG  69 -12.521  -0.109  -0.764
  806   1HH1  ARG  69          1HH1      ARG  69 -14.798  -2.087   1.010
  807   2HH1  ARG  69          2HH1      ARG  69 -13.782  -2.230   2.413
  808   1HH2  ARG  69          1HH2      ARG  69 -11.173  -0.303   1.083
  809   2HH2  ARG  69          2HH2      ARG  69 -11.717  -1.215   2.456
  810    H    PHE  70           H        PHE  70 -15.413  -0.726  -6.081
  811    HA   PHE  70           HA       PHE  70 -12.727  -0.040  -6.506
  812   1HB   PHE  70          1HB       PHE  70 -13.680  -2.134  -7.322
  813   2HB   PHE  70          2HB       PHE  70 -14.748  -1.253  -8.408
  814    HD1  PHE  70           HD1      PHE  70 -14.078  -0.767 -10.579
  815    HD2  PHE  70           HD2      PHE  70 -11.163  -1.895  -7.690
  816    HE1  PHE  70           HE1      PHE  70 -12.376  -0.889 -12.350
  817    HE2  PHE  70           HE2      PHE  70  -9.459  -2.018  -9.455
  818    HZ   PHE  70           HZ       PHE  70 -10.060  -1.516 -11.790
  819    H    GLN  71           H        GLN  71 -15.650   0.935  -8.283
  820    HA   GLN  71           HA       GLN  71 -14.444   2.720 -10.061
  821   1HB   GLN  71          1HB       GLN  71 -17.215   2.673  -8.862
  822   2HB   GLN  71          2HB       GLN  71 -16.726   3.826 -10.095
  823   1HG   GLN  71          1HG       GLN  71 -16.571   0.850 -10.444
  824   2HG   GLN  71          2HG       GLN  71 -17.937   1.841 -10.960
  825   1HE2  GLN  71          1HE2      GLN  71 -14.560   1.161 -11.445
  826   2HE2  GLN  71          2HE2      GLN  71 -14.432   1.875 -13.013
  827    H    LYS  72           H        LYS  72 -15.640   3.191  -6.785
  828    HA   LYS  72           HA       LYS  72 -15.339   5.947  -6.579
  829   1HB   LYS  72          1HB       LYS  72 -16.460   4.366  -4.964
  830   2HB   LYS  72          2HB       LYS  72 -14.860   3.917  -4.395
  831   1HG   LYS  72          1HG       LYS  72 -15.988   5.560  -2.956
  832   2HG   LYS  72          2HG       LYS  72 -14.456   6.146  -3.609
  833   1HD   LYS  72          1HD       LYS  72 -15.464   7.638  -5.006
  834   2HD   LYS  72          2HD       LYS  72 -16.980   6.731  -5.080
  835   1HE   LYS  72          1HE       LYS  72 -17.335   7.333  -2.680
  836   2HE   LYS  72          2HE       LYS  72 -15.939   8.404  -2.802
  837   1HZ   LYS  72          1HZ       LYS  72 -17.908   9.676  -3.145
  838   2HZ   LYS  72          2HZ       LYS  72 -18.482   8.601  -4.317
  839   3HZ   LYS  72          3HZ       LYS  72 -17.115   9.552  -4.640
  840    H    CYS  73           H        CYS  73 -13.032   3.326  -5.970
  841    HA   CYS  73           HA       CYS  73 -10.910   4.862  -5.002
  842   1HB   CYS  73          1HB       CYS  73 -10.789   2.297  -6.603
  843   2HB   CYS  73          2HB       CYS  73  -9.481   2.959  -5.625
  844    HG   CYS  73           HG       CYS  73 -12.491   1.859  -4.418
  845    H    LEU  74           H        LEU  74 -11.433   3.676  -8.346
  846    HA   LEU  74           HA       LEU  74  -9.272   5.070  -9.460
  847   1HB   LEU  74          1HB       LEU  74 -11.805   3.964 -10.625
  848   2HB   LEU  74          2HB       LEU  74 -10.678   4.856 -11.617
  849    HG   LEU  74           HG       LEU  74  -8.911   3.201 -10.881
  850   1HD1  LEU  74          1HD1      LEU  74 -11.344   1.703  -9.977
  851   2HD1  LEU  74          2HD1      LEU  74 -10.027   2.288  -8.961
  852   3HD1  LEU  74          3HD1      LEU  74  -9.728   1.018 -10.148
  853   1HD2  LEU  74          1HD2      LEU  74  -9.910   3.173 -13.101
  854   2HD2  LEU  74          2HD2      LEU  74 -11.245   2.194 -12.493
  855   3HD2  LEU  74          3HD2      LEU  74  -9.610   1.534 -12.521
  856    H    THR  75           H        THR  75 -12.639   6.026  -8.995
  857    HA   THR  75           HA       THR  75 -12.542   8.421 -10.459
  858    HB   THR  75           HB       THR  75 -14.298   7.701  -8.108
  859    HG1  THR  75           HG1      THR  75 -14.697   6.288  -9.765
  860   1HG2  THR  75          1HG2      THR  75 -15.822   9.424  -8.973
  861   2HG2  THR  75          2HG2      THR  75 -14.624   9.869 -10.188
  862   3HG2  THR  75          3HG2      THR  75 -14.278  10.114  -8.476
  863    H    VAL  76           H        VAL  76 -11.954   7.818  -6.979
  864    HA   VAL  76           HA       VAL  76 -11.683  10.590  -6.391
  865    HB   VAL  76           HB       VAL  76 -10.781   9.899  -4.204
  866   1HG1  VAL  76          1HG1      VAL  76 -12.810   8.764  -3.421
  867   2HG1  VAL  76          2HG1      VAL  76 -13.250   8.415  -5.093
  868   3HG1  VAL  76          3HG1      VAL  76 -13.177  10.085  -4.532
  869   1HG2  VAL  76          1HG2      VAL  76 -11.054   7.093  -5.280
  870   2HG2  VAL  76          2HG2      VAL  76 -10.697   7.527  -3.608
  871   3HG2  VAL  76          3HG2      VAL  76  -9.543   7.911  -4.885
  872    H    GLY  77           H        GLY  77  -9.507   8.258  -7.687
  873   1HA   GLY  77          1HA       GLY  77  -7.780   9.488  -9.011
  874   2HA   GLY  77          2HA       GLY  77  -7.393  10.314  -7.515
  875    H    MET  78           H        MET  78  -8.116   6.975  -7.139
  876    HA   MET  78           HA       MET  78  -5.405   6.448  -6.370
  877   1HB   MET  78          1HB       MET  78  -7.799   4.618  -6.604
  878   2HB   MET  78          2HB       MET  78  -6.225   4.104  -6.010
  879   1HG   MET  78          1HG       MET  78  -6.391   5.770  -4.207
  880   2HG   MET  78          2HG       MET  78  -7.997   6.203  -4.783
  881   1HE   MET  78          1HE       MET  78  -6.925   2.060  -3.052
  882   2HE   MET  78          2HE       MET  78  -5.775   3.391  -3.180
  883   3HE   MET  78          3HE       MET  78  -6.386   2.610  -4.638
  884    H    ARG  79           H        ARG  79  -3.811   5.749  -7.578
  885    HA   ARG  79           HA       ARG  79  -4.183   5.410 -10.379
  886   1HB   ARG  79          1HB       ARG  79  -1.822   5.268  -8.547
  887   2HB   ARG  79          2HB       ARG  79  -1.677   4.731 -10.215
  888   1HG   ARG  79          1HG       ARG  79  -2.658   7.462  -9.421
  889   2HG   ARG  79          2HG       ARG  79  -0.975   7.089  -9.798
  890   1HD   ARG  79          1HD       ARG  79  -1.954   7.971 -11.777
  891   2HD   ARG  79          2HD       ARG  79  -1.760   6.242 -12.026
  892    HE   ARG  79           HE       ARG  79  -4.359   7.204 -11.104
  893   1HH1  ARG  79          1HH1      ARG  79  -2.365   6.041 -13.749
  894   2HH1  ARG  79          2HH1      ARG  79  -3.729   5.631 -14.760
  895   1HH2  ARG  79          1HH2      ARG  79  -6.145   6.683 -12.420
  896   2HH2  ARG  79          2HH2      ARG  79  -5.881   6.012 -14.009
  897    H    LEU  80           H        LEU  80  -4.717   3.690 -11.431
  898    HA   LEU  80           HA       LEU  80  -4.865   1.097 -10.211
  899   1HB   LEU  80          1HB       LEU  80  -6.486   1.884 -11.885
  900   2HB   LEU  80          2HB       LEU  80  -5.219   1.942 -13.093
  901    HG   LEU  80           HG       LEU  80  -4.964  -0.580 -12.655
  902   1HD1  LEU  80          1HD1      LEU  80  -6.971  -1.687 -11.828
  903   2HD1  LEU  80          2HD1      LEU  80  -7.699  -0.119 -11.477
  904   3HD1  LEU  80          3HD1      LEU  80  -6.265  -0.644 -10.593
  905   1HD2  LEU  80          1HD2      LEU  80  -5.897   0.389 -14.697
  906   2HD2  LEU  80          2HD2      LEU  80  -7.483   0.480 -13.928
  907   3HD2  LEU  80          3HD2      LEU  80  -6.740  -1.090 -14.238
  908    H    GLU  81           H        GLU  81  -2.672   2.798 -12.273
  909    HA   GLU  81           HA       GLU  81  -1.137   0.601 -13.191
  910   1HB   GLU  81          1HB       GLU  81   0.510   2.315 -13.816
  911   2HB   GLU  81          2HB       GLU  81  -1.116   2.769 -14.313
  912   1HG   GLU  81          1HG       GLU  81  -1.294   4.222 -12.346
  913   2HG   GLU  81          2HG       GLU  81   0.353   3.787 -11.895
  914    H    ALA  82           H        ALA  82  -1.394   2.071 -10.159
  915    HA   ALA  82           HA       ALA  82   1.323   1.677  -9.295
  916   1HB   ALA  82          1HB       ALA  82   0.444   2.320  -7.078
  917   2HB   ALA  82          2HB       ALA  82  -1.182   2.346  -7.761
  918   3HB   ALA  82          3HB       ALA  82   0.035   3.482  -8.340
  919    H    VAL  83           H        VAL  83  -1.302  -0.334  -9.774
  920    HA   VAL  83           HA       VAL  83  -0.793  -2.111  -7.561
  921    HB   VAL  83           HB       VAL  83  -2.505  -2.594 -10.004
  922   1HG1  VAL  83          1HG1      VAL  83  -3.578  -4.306  -8.628
  923   2HG1  VAL  83          2HG1      VAL  83  -2.447  -3.967  -7.318
  924   3HG1  VAL  83          3HG1      VAL  83  -1.859  -4.639  -8.840
  925   1HG2  VAL  83          1HG2      VAL  83  -4.395  -1.980  -8.569
  926   2HG2  VAL  83          2HG2      VAL  83  -3.274  -0.635  -8.788
  927   3HG2  VAL  83          3HG2      VAL  83  -3.271  -1.551  -7.281
  928    H    ARG  84           H        ARG  84   1.255  -2.853  -7.712
  929    HA   ARG  84           HA       ARG  84   2.269  -4.060 -10.120
  930   1HB   ARG  84          1HB       ARG  84   3.755  -2.961  -8.467
  931   2HB   ARG  84          2HB       ARG  84   3.316  -4.177  -7.279
  932   1HG   ARG  84          1HG       ARG  84   5.410  -4.822  -8.107
  933   2HG   ARG  84          2HG       ARG  84   4.246  -5.893  -8.885
  934   1HD   ARG  84          1HD       ARG  84   4.296  -4.446 -10.881
  935   2HD   ARG  84          2HD       ARG  84   5.518  -3.443 -10.098
  936    HE   ARG  84           HE       ARG  84   6.277  -6.198 -10.200
  937   1HH1  ARG  84          1HH1      ARG  84   6.238  -3.202 -12.016
  938   2HH1  ARG  84          2HH1      ARG  84   7.455  -3.735 -13.144
  939   1HH2  ARG  84          1HH2      ARG  84   7.894  -6.872 -11.634
  940   2HH2  ARG  84          2HH2      ARG  84   8.433  -5.806 -12.901
  941    H    ALA  85           H        ALA  85   0.435  -5.487 -10.426
  942    HA   ALA  85           HA       ALA  85  -0.250  -7.557  -8.640
  943   1HB   ALA  85          1HB       ALA  85  -0.544  -7.487 -11.638
  944   2HB   ALA  85          2HB       ALA  85  -1.700  -6.841 -10.473
  945   3HB   ALA  85          3HB       ALA  85  -1.386  -8.575 -10.535
  946    H    ASP  86           H        ASP  86   2.421  -7.103 -10.639
  947    HA   ASP  86           HA       ASP  86   3.277  -9.651 -11.290
  948   1HB   ASP  86          1HB       ASP  86   4.475  -7.853 -12.196
  949   2HB   ASP  86          2HB       ASP  86   4.698  -7.088 -10.630
  950    H    ARG  87           H        ARG  87   4.760  -7.846  -8.609
  951    HA   ARG  87           HA       ARG  87   4.259  -9.400  -6.442
  952   1HB   ARG  87          1HB       ARG  87   5.152 -11.317  -7.779
  953   2HB   ARG  87          2HB       ARG  87   6.705 -10.498  -7.854
  954   1HG   ARG  87          1HG       ARG  87   6.626 -12.264  -6.145
  955   2HG   ARG  87          2HG       ARG  87   6.964 -10.671  -5.466
  956   1HD   ARG  87          1HD       ARG  87   4.915 -10.518  -4.442
  957   2HD   ARG  87          2HD       ARG  87   4.137 -11.595  -5.605
  958    HE   ARG  87           HE       ARG  87   5.952 -12.506  -3.456
  959   1HH1  ARG  87          1HH1      ARG  87   3.181 -12.946  -5.565
  960   2HH1  ARG  87          2HH1      ARG  87   2.755 -14.495  -4.892
  961   1HH2  ARG  87          1HH2      ARG  87   5.396 -14.548  -2.581
  962   2HH2  ARG  87          2HH2      ARG  87   3.995 -15.390  -3.175
  963    H    MET  88           H        MET  88   6.731  -7.813  -8.328
  964    HA   MET  88           HA       MET  88   8.653  -7.232  -6.438
  965   1HB   MET  88          1HB       MET  88   8.654  -6.750  -8.941
  966   2HB   MET  88          2HB       MET  88   7.769  -5.280  -8.560
  967   1HG   MET  88          1HG       MET  88  10.104  -4.786  -8.813
  968   2HG   MET  88          2HG       MET  88   9.629  -4.556  -7.130
  969   1HE   MET  88          1HE       MET  88  13.363  -5.850  -7.001
  970   2HE   MET  88          2HE       MET  88  12.280  -4.511  -6.619
  971   3HE   MET  88          3HE       MET  88  12.659  -4.886  -8.300
  972    H    ARG  89           H        ARG  89   8.474  -6.294  -4.518
  973    HA   ARG  89           HA       ARG  89   6.201  -4.818  -3.714
  974   1HB   ARG  89          1HB       ARG  89   8.881  -5.247  -2.399
  975   2HB   ARG  89          2HB       ARG  89   7.559  -4.376  -1.629
  976   1HG   ARG  89          1HG       ARG  89   6.151  -6.371  -1.799
  977   2HG   ARG  89          2HG       ARG  89   7.488  -7.242  -2.551
  978   1HD   ARG  89          1HD       ARG  89   8.812  -7.024  -0.545
  979   2HD   ARG  89          2HD       ARG  89   7.574  -6.015   0.203
  980    HE   ARG  89           HE       ARG  89   6.399  -8.444  -0.525
  981   1HH1  ARG  89          1HH1      ARG  89   8.825  -7.288   1.723
  982   2HH1  ARG  89          2HH1      ARG  89   8.479  -8.502   2.912
  983   1HH2  ARG  89          1HH2      ARG  89   5.940 -10.030   1.038
  984   2HH2  ARG  89          2HH2      ARG  89   6.855 -10.081   2.519
  985    H    GLY  90           H        GLY  90   9.050  -3.845  -5.306
  986   1HA   GLY  90          1HA       GLY  90   8.920  -1.081  -4.486
  987   2HA   GLY  90          2HA       GLY  90   9.916  -1.743  -5.777
  988    H    GLY  91           H        GLY  91   6.530  -1.034  -4.968
  989   1HA   GLY  91          1HA       GLY  91   5.753  -1.072  -7.752
  990   2HA   GLY  91          2HA       GLY  91   4.711  -0.737  -6.379
  991    H    ARG  92           H        ARG  92   7.662   1.048  -6.714
  992    HA   ARG  92           HA       ARG  92   6.140   3.473  -7.108
  993   1HB   ARG  92          1HB       ARG  92   9.044   2.919  -6.556
  994   2HB   ARG  92          2HB       ARG  92   8.494   4.522  -7.029
  995   1HG   ARG  92          1HG       ARG  92   6.909   4.472  -5.109
  996   2HG   ARG  92          2HG       ARG  92   7.653   2.956  -4.603
  997   1HD   ARG  92          1HD       ARG  92   9.734   4.008  -4.190
  998   2HD   ARG  92          2HD       ARG  92   9.231   5.484  -5.017
  999    HE   ARG  92           HE       ARG  92   7.525   4.909  -2.820
 1000   1HH1  ARG  92          1HH1      ARG  92  10.719   6.159  -3.559
 1001   2HH1  ARG  92          2HH1      ARG  92  10.774   7.176  -2.153
 1002   1HH2  ARG  92          1HH2      ARG  92   7.589   6.253  -1.000
 1003   2HH2  ARG  92          2HH2      ARG  92   8.997   7.226  -0.688
 1004    H    ASN  93           H        ASN  93   5.451   3.847  -9.060
 1005    HA   ASN  93           HA       ASN  93   7.099   3.161 -11.366
 1006   1HB   ASN  93          1HB       ASN  93   4.194   3.894 -11.044
 1007   2HB   ASN  93          2HB       ASN  93   4.964   3.834 -12.625
 1008   1HD2  ASN  93          1HD2      ASN  93   3.819   1.978  -9.922
 1009   2HD2  ASN  93          2HD2      ASN  93   3.950   0.430 -10.679
 1010    H    LYS  94           H        LYS  94   6.139   5.035 -13.204
 1011    HA   LYS  94           HA       LYS  94   8.024   7.051 -12.821
 1012   1HB   LYS  94          1HB       LYS  94   6.957   8.154 -14.812
 1013   2HB   LYS  94          2HB       LYS  94   7.478   6.498 -15.042
 1014   1HG   LYS  94          1HG       LYS  94   5.404   6.741 -16.151
 1015   2HG   LYS  94          2HG       LYS  94   5.092   5.795 -14.700
 1016   1HD   LYS  94          1HD       LYS  94   3.950   7.520 -13.665
 1017   2HD   LYS  94          2HD       LYS  94   4.735   8.761 -14.641
 1018   1HE   LYS  94          1HE       LYS  94   2.357   8.445 -15.217
 1019   2HE   LYS  94          2HE       LYS  94   3.439   8.134 -16.571
 1020   1HZ   LYS  94          1HZ       LYS  94   1.621   6.502 -16.332
 1021   2HZ   LYS  94          2HZ       LYS  94   2.272   6.008 -14.848
 1022   3HZ   LYS  94          3HZ       LYS  94   3.160   5.795 -16.282
 1023    H    PHE  95           H        PHE  95   4.890   6.902 -11.520
 1024    HA   PHE  95           HA       PHE  95   4.743   9.806 -11.215
 1025   1HB   PHE  95          1HB       PHE  95   2.484   9.457 -10.363
 1026   2HB   PHE  95          2HB       PHE  95   2.687   8.629 -11.904
 1027    HD1  PHE  95           HD1      PHE  95   1.896   8.292  -8.416
 1028    HD2  PHE  95           HD2      PHE  95   3.008   6.148 -11.919
 1029    HE1  PHE  95           HE1      PHE  95   1.121   6.202  -7.379
 1030    HE2  PHE  95           HE2      PHE  95   2.234   4.055 -10.886
 1031    HZ   PHE  95           HZ       PHE  95   1.292   4.083  -8.615
 1032    H    GLY  96           H        GLY  96   6.456   7.600  -9.756
 1033   1HA   GLY  96          1HA       GLY  96   5.914   7.528  -7.059
 1034   2HA   GLY  96          2HA       GLY  96   7.532   7.551  -7.733
 1035    HA   PRO  97           HA       PRO  97   8.475  11.742  -6.514
 1036   1HB   PRO  97          1HB       PRO  97   7.457  13.036  -8.994
 1037   2HB   PRO  97          2HB       PRO  97   9.018  13.217  -8.186
 1038   1HG   PRO  97          1HG       PRO  97   8.794  11.774 -10.409
 1039   2HG   PRO  97          2HG       PRO  97   9.863  11.263  -9.090
 1040   1HD   PRO  97          1HD       PRO  97   7.200  10.199  -9.894
 1041   2HD   PRO  97          2HD       PRO  97   8.604   9.345  -9.228
 1042    H    MET  98           H        MET  98   5.251  11.403  -7.914
 1043    HA   MET  98           HA       MET  98   4.277  13.927  -7.124
 1044   1HB   MET  98          1HB       MET  98   2.126  13.204  -7.759
 1045   2HB   MET  98          2HB       MET  98   3.234  12.387  -8.838
 1046   1HG   MET  98          1HG       MET  98   1.732  10.763  -8.320
 1047   2HG   MET  98          2HG       MET  98   3.044  10.434  -7.199
 1048   1HE   MET  98          1HE       MET  98   0.238  13.231  -7.022
 1049   2HE   MET  98          2HE       MET  98  -0.989  12.375  -6.088
 1050   3HE   MET  98          3HE       MET  98  -0.549  11.806  -7.699
 1051    H    TYR  99           H        TYR  99   4.638  10.938  -5.395
 1052    HA   TYR  99           HA       TYR  99   2.776  11.345  -3.344
 1053   1HB   TYR  99          1HB       TYR  99   5.386   9.843  -3.425
 1054   2HB   TYR  99          2HB       TYR  99   4.364   9.871  -1.992
 1055    HD1  TYR  99           HD1      TYR  99   2.128   8.847  -2.051
 1056    HD2  TYR  99           HD2      TYR  99   4.816   8.505  -5.328
 1057    HE1  TYR  99           HE1      TYR  99   0.810   6.973  -2.925
 1058    HE2  TYR  99           HE2      TYR  99   3.498   6.630  -6.219
 1059    HH   TYR  99           HH       TYR  99   1.924   4.915  -5.353
 1060    H    LYS 100           H        LYS 100   6.277  12.044  -3.311
 1061    HA   LYS 100           HA       LYS 100   6.089  13.406  -0.809
 1062   1HB   LYS 100          1HB       LYS 100   8.437  14.047  -1.199
 1063   2HB   LYS 100          2HB       LYS 100   8.170  12.320  -1.385
 1064   1HG   LYS 100          1HG       LYS 100   8.224  12.548  -3.796
 1065   2HG   LYS 100          2HG       LYS 100   8.391  14.298  -3.647
 1066   1HD   LYS 100          1HD       LYS 100  10.358  12.257  -2.606
 1067   2HD   LYS 100          2HD       LYS 100  10.545  13.188  -4.093
 1068   1HE   LYS 100          1HE       LYS 100  10.258  14.414  -1.354
 1069   2HE   LYS 100          2HE       LYS 100  11.807  14.091  -2.130
 1070   1HZ   LYS 100          1HZ       LYS 100  11.343  15.646  -3.821
 1071   2HZ   LYS 100          2HZ       LYS 100  10.913  16.415  -2.368
 1072   3HZ   LYS 100          3HZ       LYS 100   9.712  15.777  -3.382
 1073    H    ARG 101           H        ARG 101   5.937  14.344  -4.157
 1074    HA   ARG 101           HA       ARG 101   6.373  17.107  -3.806
 1075   1HB   ARG 101          1HB       ARG 101   6.438  15.990  -6.010
 1076   2HB   ARG 101          2HB       ARG 101   4.704  15.710  -5.909
 1077   1HG   ARG 101          1HG       ARG 101   4.401  18.189  -5.775
 1078   2HG   ARG 101          2HG       ARG 101   6.123  18.351  -6.122
 1079   1HD   ARG 101          1HD       ARG 101   4.054  17.034  -7.873
 1080   2HD   ARG 101          2HD       ARG 101   4.816  18.598  -8.151
 1081    HE   ARG 101           HE       ARG 101   6.490  16.193  -8.028
 1082   1HH1  ARG 101          1HH1      ARG 101   5.193  18.898  -9.829
 1083   2HH1  ARG 101          2HH1      ARG 101   6.169  18.596 -11.237
 1084   1HH2  ARG 101          1HH2      ARG 101   7.774  15.791  -9.857
 1085   2HH2  ARG 101          2HH2      ARG 101   7.650  16.818 -11.254
 1086    H    ASP 102           H        ASP 102   3.363  15.241  -4.146
 1087    HA   ASP 102           HA       ASP 102   1.602  17.371  -3.662
 1088   1HB   ASP 102          1HB       ASP 102   0.914  15.205  -4.652
 1089   2HB   ASP 102          2HB       ASP 102   1.165  14.429  -3.093
 1090    H    ARG 103           H        ARG 103   3.144  15.050  -1.503
 1091    HA   ARG 103           HA       ARG 103   1.772  15.747   0.843
 1092   1HB   ARG 103          1HB       ARG 103   3.363  13.762   0.364
 1093   2HB   ARG 103          2HB       ARG 103   4.647  14.869   0.830
 1094   1HG   ARG 103          1HG       ARG 103   3.684  15.138   3.019
 1095   2HG   ARG 103          2HG       ARG 103   2.292  14.153   2.562
 1096   1HD   ARG 103          1HD       ARG 103   4.044  12.333   2.034
 1097   2HD   ARG 103          2HD       ARG 103   5.133  13.314   3.015
 1098    HE   ARG 103           HE       ARG 103   2.643  12.791   4.333
 1099   1HH1  ARG 103          1HH1      ARG 103   5.836  11.498   3.658
 1100   2HH1  ARG 103          2HH1      ARG 103   5.795  10.370   4.985
 1101   1HH2  ARG 103          1HH2      ARG 103   2.582  11.313   6.059
 1102   2HH2  ARG 103          2HH2      ARG 103   3.935  10.260   6.354
 1103    H    ALA 104           H        ALA 104   4.729  17.040  -0.603
 1104    HA   ALA 104           HA       ALA 104   5.365  18.751   1.577
 1105   1HB   ALA 104          1HB       ALA 104   7.005  19.745   0.082
 1106   2HB   ALA 104          2HB       ALA 104   6.268  18.921  -1.292
 1107   3HB   ALA 104          3HB       ALA 104   7.050  17.985  -0.020
 1108    H    LEU 105           H        LEU 105   3.407  19.115  -1.300
 1109    HA   LEU 105           HA       LEU 105   3.102  21.961  -0.967
 1110   1HB   LEU 105          1HB       LEU 105   1.535  20.035  -2.685
 1111   2HB   LEU 105          2HB       LEU 105   1.482  21.783  -2.793
 1112    HG   LEU 105           HG       LEU 105   3.902  20.073  -3.375
 1113   1HD1  LEU 105          1HD1      LEU 105   2.051  21.557  -5.233
 1114   2HD1  LEU 105          2HD1      LEU 105   2.152  19.807  -5.048
 1115   3HD1  LEU 105          3HD1      LEU 105   3.524  20.706  -5.700
 1116   1HD2  LEU 105          1HD2      LEU 105   4.875  22.152  -4.235
 1117   2HD2  LEU 105          2HD2      LEU 105   4.518  22.259  -2.511
 1118   3HD2  LEU 105          3HD2      LEU 105   3.455  23.040  -3.681
 1119    H    LYS 106           H        LYS 106   1.154  19.082  -0.431
 1120    HA   LYS 106           HA       LYS 106  -1.221  20.286   0.421
 1121   1HB   LYS 106          1HB       LYS 106  -1.073  17.954  -0.218
 1122   2HB   LYS 106          2HB       LYS 106   0.002  17.621   1.130
 1123   1HG   LYS 106          1HG       LYS 106  -1.784  18.068   2.701
 1124   2HG   LYS 106          2HG       LYS 106  -2.870  18.488   1.369
 1125   1HD   LYS 106          1HD       LYS 106  -2.684  16.248   0.475
 1126   2HD   LYS 106          2HD       LYS 106  -1.527  15.815   1.732
 1127   1HE   LYS 106          1HE       LYS 106  -4.396  16.618   2.178
 1128   2HE   LYS 106          2HE       LYS 106  -3.774  14.970   2.216
 1129   1HZ   LYS 106          1HZ       LYS 106  -3.492  17.108   4.177
 1130   2HZ   LYS 106          2HZ       LYS 106  -2.173  16.065   3.991
 1131   3HZ   LYS 106          3HZ       LYS 106  -3.694  15.441   4.411
 1132    H    GLN 107           H        GLN 107   1.514  19.045   2.339
 1133    HA   GLN 107           HA       GLN 107   0.346  20.112   4.769
 1134   1HB   GLN 107          1HB       GLN 107   3.094  18.904   4.425
 1135   2HB   GLN 107          2HB       GLN 107   2.195  19.100   5.922
 1136   1HG   GLN 107          1HG       GLN 107   1.542  17.234   3.654
 1137   2HG   GLN 107          2HG       GLN 107   2.162  16.797   5.243
 1138   1HE2  GLN 107          1HE2      GLN 107   0.418  18.752   6.598
 1139   2HE2  GLN 107          2HE2      GLN 107  -1.165  18.044   6.577
 1140    H    GLN 108           H        GLN 108   3.553  20.442   3.293
 1141    HA   GLN 108           HA       GLN 108   4.996  22.163   3.055
 1142   1HB   GLN 108          1HB       GLN 108   2.866  23.091   1.937
 1143   2HB   GLN 108          2HB       GLN 108   2.710  24.085   3.376
 1144   1HG   GLN 108          1HG       GLN 108   4.851  25.110   2.954
 1145   2HG   GLN 108          2HG       GLN 108   5.121  24.043   1.577
 1146   1HE2  GLN 108          1HE2      GLN 108   5.335  25.726   0.139
 1147   2HE2  GLN 108          2HE2      GLN 108   3.993  26.701  -0.367
 1148    H    LYS 109           H        LYS 109   3.790  21.333   5.806
 1149    HA   LYS 109           HA       LYS 109   4.270  23.535   7.514
 1150   1HB   LYS 109          1HB       LYS 109   4.366  21.804   9.325
 1151   2HB   LYS 109          2HB       LYS 109   2.906  21.780   8.360
 1152   1HG   LYS 109          1HG       LYS 109   3.359  19.545   8.539
 1153   2HG   LYS 109          2HG       LYS 109   4.149  19.925   7.013
 1154   1HD   LYS 109          1HD       LYS 109   5.615  18.537   8.304
 1155   2HD   LYS 109          2HD       LYS 109   6.295  20.162   8.252
 1156   1HE   LYS 109          1HE       LYS 109   6.457  19.141  10.485
 1157   2HE   LYS 109          2HE       LYS 109   5.489  20.611  10.492
 1158   1HZ   LYS 109          1HZ       LYS 109   4.470  18.867  11.815
 1159   2HZ   LYS 109          2HZ       LYS 109   4.421  17.836  10.474
 1160   3HZ   LYS 109          3HZ       LYS 109   3.486  19.249  10.487
 1161    H    LYS 110           H        LYS 110   6.045  24.041   8.771
 1162    HA   LYS 110           HA       LYS 110   8.547  23.292   7.474
 1163   1HB   LYS 110          1HB       LYS 110   7.894  25.498   9.430
 1164   2HB   LYS 110          2HB       LYS 110   9.486  25.217   8.737
 1165   1HG   LYS 110          1HG       LYS 110   8.491  25.562   6.480
 1166   2HG   LYS 110          2HG       LYS 110   6.976  26.001   7.269
 1167   1HD   LYS 110          1HD       LYS 110   8.220  27.999   6.685
 1168   2HD   LYS 110          2HD       LYS 110   8.141  27.829   8.439
 1169   1HE   LYS 110          1HE       LYS 110  10.369  28.488   7.814
 1170   2HE   LYS 110          2HE       LYS 110  10.404  26.827   8.404
 1171   1HZ   LYS 110          1HZ       LYS 110  10.541  27.738   5.583
 1172   2HZ   LYS 110          2HZ       LYS 110  10.326  26.117   6.024
 1173   3HZ   LYS 110          3HZ       LYS 110  11.744  26.935   6.467
 1174    H    ALA 111           H        ALA 111  10.496  23.260   8.951
 1175    HA   ALA 111           HA       ALA 111   9.923  21.455  11.188
 1176   1HB   ALA 111          1HB       ALA 111  12.506  21.933   9.706
 1177   2HB   ALA 111          2HB       ALA 111  11.411  20.574   9.460
 1178   3HB   ALA 111          3HB       ALA 111  12.259  20.756  10.995
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  29.290   3.458  -0.324
    2   2H5*    G   1          2H5*        G   1  28.819   1.997   0.564
    3    H4*    G   1           H4*        G   1  29.079   4.079   1.928
    4    H3*    G   1           H3*        G   1  27.430   2.035   2.454
    5    H1*    G   1           H1*        G   1  25.927   5.653   2.270
    6    H8     G   1           H8         G   1  25.554   3.616  -1.015
    7    H1     G   1           H1         G   1  21.838   8.824  -0.470
    8   1H2     G   1          1H2         G   1  22.214   9.822   1.461
    9   2H2     G   1          2H2         G   1  23.376   9.208   2.618
   10    H5T    G   1           H5T        G   1  27.268   3.626  -1.150
   11   1H2*    G   1          1H2*        G   1  25.465   2.799   1.335
   12   2H2*    G   1          2H2*        G   1  25.191   3.499   2.924
   13   1H5*    G   2          1H5*        G   2  26.226   5.912   4.178
   14   2H5*    G   2          2H5*        G   2  26.523   5.805   5.925
   15    H4*    G   2           H4*        G   2  24.834   7.320   5.873
   16    H3*    G   2           H3*        G   2  24.018   4.881   6.875
   17    H1*    G   2           H1*        G   2  21.914   7.138   4.539
   18    H8     G   2           H8         G   2  23.216   3.951   2.740
   19    H1     G   2           H1         G   2  18.587   7.215  -0.290
   20   1H2     G   2          1H2         G   2  17.984   8.963   0.912
   21   2H2     G   2          2H2         G   2  18.718   9.330   2.457
   22   1H2*    G   2          1H2*        G   2  22.591   4.213   5.102
   23   2H2*    G   2          2H2*        G   2  21.463   5.262   5.951
   24   1H5*    C   3          1H5*        C   3  21.059   7.714   5.956
   25   2H5*    C   3          2H5*        C   3  20.610   8.561   7.451
   26    H4*    C   3           H4*        C   3  18.665   8.842   6.395
   27    H3*    C   3           H3*        C   3  18.394   6.685   8.116
   28    H1*    C   3           H1*        C   3  16.887   7.025   4.631
   29   1H4     C   3          1H4         C   3  17.940   2.866  -0.005
   30   2H4     C   3          2H4         C   3  19.157   2.017   0.925
   31    H5     C   3           H5         C   3  19.819   2.700   3.160
   32    H6     C   3           H6         C   3  19.459   4.345   4.929
   33   1H2*    C   3          1H2*        C   3  18.245   4.980   6.465
   34   2H2*    C   3          2H2*        C   3  16.563   5.491   6.485
   35   1H5*    T   4          1H5*        T   4  14.504   9.655   7.973
   36   2H5*    T   4          2H5*        T   4  13.035   8.908   8.631
   37    H4*    T   4           H4*        T   4  13.058  10.426   6.448
   38    H3*    T   4           H3*        T   4  11.085   9.029   7.617
   39   1H2*    T   4          1H2*        T   4  11.500   6.893   6.612
   40   2H2*    T   4          2H2*        T   4  10.354   7.569   5.463
   41    H1*    T   4           H1*        T   4  12.066   8.249   3.941
   42    H3     T   4           H3         T   4  13.358   4.412   2.066
   43   1H5M    T   4          1H5M        T   4  14.519   2.986   6.578
   44   2H5M    T   4          2H5M        T   4  16.044   3.495   5.814
   45   3H5M    T   4          3H5M        T   4  15.312   4.494   7.093
   46    H6     T   4           H6         T   4  13.854   6.207   6.457
   47   1H5*    C   5          1H5*        C   5  10.702   9.449   2.950
   48   2H5*    C   5          2H5*        C   5   9.424  10.681   2.979
   49    H4*    C   5           H4*        C   5   9.065   9.630   0.970
   50    H3*    C   5           H3*        C   5   7.014   9.381   2.673
   51    H1*    C   5           H1*        C   5   8.369   6.176   0.885
   52   1H4     C   5          1H4         C   5  11.471   1.844   4.307
   53   2H4     C   5          2H4         C   5  11.328   2.802   5.765
   54    H5     C   5           H5         C   5  10.285   4.983   5.807
   55    H6     C   5           H6         C   5   9.180   6.694   4.464
   56   1H2*    C   5          1H2*        C   5   7.526   7.241   3.606
   57   2H2*    C   5          2H2*        C   5   6.516   6.749   2.254
   58   1H5*    A   6          1H5*        A   6   6.803   6.922  -1.471
   59   2H5*    A   6          2H5*        A   6   5.421   7.841  -2.104
   60    H4*    A   6           H4*        A   6   5.263   5.885  -3.274
   61    H3*    A   6           H3*        A   6   3.178   6.287  -1.624
   62    H1*    A   6           H1*        A   6   4.932   2.823  -1.712
   63    H8     A   6           H8         A   6   5.549   4.778   1.556
   64   1H6     A   6          1H6         A   6   8.859  -0.135   3.327
   65   2H6     A   6          2H6         A   6   8.224   1.425   3.805
   66    H2     A   6           H2         A   6   7.558  -0.790  -0.928
   67   1H2*    A   6          1H2*        A   6   3.905   4.949   0.220
   68   2H2*    A   6          2H2*        A   6   2.984   3.756  -0.685
   69   1H5*    G   7          1H5*        G   7   4.878   2.073  -3.035
   70   2H5*    G   7          2H5*        G   7   3.911   2.656  -4.407
   71    H4*    G   7           H4*        G   7   4.336   0.459  -4.964
   72    H3*    G   7           H3*        G   7   1.743   1.016  -4.678
   73    H1*    G   7           H1*        G   7   3.165  -2.036  -2.522
   74    H8     G   7           H8         G   7   1.600   0.802  -0.670
   75    H1     G   7           H1         G   7   5.939  -2.438   2.781
   76   1H2     G   7          1H2         G   7   7.123  -3.743   1.462
   77   2H2     G   7          2H2         G   7   6.853  -3.809  -0.265
   78   1H2*    G   7          1H2*        G   7   1.331   0.347  -2.450
   79   2H2*    G   7          2H2*        G   7   1.105  -1.219  -3.216
   80   1H5*    G   8          1H5*        G   8   4.240  -2.941  -4.396
   81   2H5*    G   8          2H5*        G   8   3.562  -3.554  -5.917
   82    H4*    G   8           H4*        G   8   4.540  -5.410  -4.932
   83    H3*    G   8           H3*        G   8   1.901  -5.615  -5.406
   84    H1*    G   8           H1*        G   8   3.269  -6.560  -1.822
   85    H8     G   8           H8         G   8   1.120  -3.385  -2.114
   86    H1     G   8           H1         G   8   3.556  -4.561   3.710
   87   1H2     G   8          1H2         G   8   4.941  -6.277   3.616
   88   2H2     G   8          2H2         G   8   5.271  -7.128   2.124
   89   1H2*    G   8          1H2*        G   8   1.025  -5.118  -3.256
   90   2H2*    G   8          2H2*        G   8   1.283  -6.844  -3.043
   91   1H5*    G   9          1H5*        G   9   3.925  -7.860  -2.668
   92   2H5*    G   9          2H5*        G   9   4.581  -9.313  -3.452
   93    H4*    G   9           H4*        G   9   4.980  -9.936  -1.339
   94    H3*    G   9           H3*        G   9   2.827 -11.312  -2.171
   95    H1*    G   9           H1*        G   9   2.801  -9.574   1.257
   96    H8     G   9           H8         G   9   0.670  -7.606  -1.321
   97    H1     G   9           H1         G   9   0.470  -5.513   4.749
   98   1H2     G   9          1H2         G   9   1.835  -6.718   6.001
   99   2H2     G   9          2H2         G   9   2.789  -8.027   5.343
  100   1H2*    G   9          1H2*        G   9   1.134  -9.843  -1.291
  101   2H2*    G   9          2H2*        G   9   1.300 -10.998   0.023
  102   1H5*    C  10          1H5*        C  10   3.815 -11.328   1.861
  103   2H5*    C  10          2H5*        C  10   4.686 -12.733   2.510
  104    H4*    C  10           H4*        C  10   3.864 -11.981   4.448
  105    H3*    C  10           H3*        C  10   2.193 -14.043   3.505
  106    H1*    C  10           H1*        C  10   1.239 -10.840   5.431
  107   1H4     C  10          1H4         C  10  -3.352  -7.109   3.157
  108   2H4     C  10          2H4         C  10  -3.288  -7.872   1.583
  109    H5     C  10           H5         C  10  -1.748  -9.664   1.051
  110    H6     C  10           H6         C  10   0.016 -11.101   1.924
  111   1H2*    C  10          1H2*        C  10   0.199 -12.806   3.332
  112   2H2*    C  10          2H2*        C  10   0.188 -12.965   5.083
  113   1H5*    C  11          1H5*        C  11   2.968 -13.424   7.916
  114   2H5*    C  11          2H5*        C  11   2.848 -14.781   9.055
  115    H4*    C  11           H4*        C  11   1.954 -12.814  10.073
  116    H3*    C  11           H3*        C  11   0.454 -15.171   9.871
  117    H1*    C  11           H1*        C  11  -0.953 -11.508   9.424
  118   1H4     C  11          1H4         C  11  -4.069 -10.641   3.980
  119   2H4     C  11          2H4         C  11  -3.436 -12.124   3.297
  120    H5     C  11           H5         C  11  -1.943 -13.602   4.522
  121    H6     C  11           H6         C  11  -0.738 -13.921   6.612
  122   1H2*    C  11          1H2*        C  11  -1.399 -14.409   8.677
  123   2H2*    C  11          2H2*        C  11  -1.813 -13.554  10.157
  124   1H5*    A  12          1H5*        A  12  -1.156 -11.742  11.497
  125   2H5*    A  12          2H5*        A  12  -0.948 -11.760  13.260
  126    H4*    A  12           H4*        A  12  -2.636 -10.300  13.207
  127    H3*    A  12           H3*        A  12  -3.666 -12.704  13.934
  128    H1*    A  12           H1*        A  12  -5.396 -10.427  11.374
  129    H8     A  12           H8         A  12  -3.502 -13.274   9.515
  130   1H6     A  12          1H6         A  12  -7.026 -11.715   4.667
  131   2H6     A  12          2H6         A  12  -5.746 -12.766   5.236
  132    H2     A  12           H2         A  12  -8.174  -9.097   8.126
  133   1H2*    A  12          1H2*        A  12  -4.560 -13.340  11.802
  134   2H2*    A  12          2H2*        A  12  -5.942 -12.500  12.491
  135   1H5*    C  13          1H5*        C  13  -6.133  -9.037  14.092
  136   2H5*    C  13          2H5*        C  13  -6.692  -8.659  15.736
  137    H4*    C  13           H4*        C  13  -8.231  -7.580  14.412
  138    H3*    C  13           H3*        C  13  -9.291  -9.534  15.932
  139    H1*    C  13           H1*        C  13 -10.222  -9.288  12.166
  140   1H4     C  13          1H4         C  13  -8.443 -13.877   8.190
  141   2H4     C  13          2H4         C  13  -7.452 -14.646   9.410
  142    H5     C  13           H5         C  13  -7.180 -13.744  11.643
  143    H6     C  13           H6         C  13  -7.807 -11.934  13.152
  144   1H2*    C  13          1H2*        C  13  -9.363 -11.283  14.304
  145   2H2*    C  13          2H2*        C  13 -10.945 -10.561  14.046
  146   1H5*    A  14          1H5*        A  14 -11.308  -8.306  11.820
  147   2H5*    A  14          2H5*        A  14 -11.701  -6.991  12.945
  148    H4*    A  14           H4*        A  14 -13.210  -6.469  11.376
  149    H3*    A  14           H3*        A  14 -14.567  -7.547  13.373
  150    H1*    A  14           H1*        A  14 -15.017  -9.339   9.831
  151    H8     A  14           H8         A  14 -12.521 -10.840  12.392
  152   1H6     A  14          1H6         A  14 -11.856 -15.414   8.273
  153   2H6     A  14          2H6         A  14 -11.387 -14.821   9.852
  154    H2     A  14           H2         A  14 -14.657 -12.371   6.536
  155   1H2*    A  14          1H2*        A  14 -14.561  -9.846  12.762
  156   2H2*    A  14          2H2*        A  14 -16.029  -9.349  11.933
  157   1H5*    G  15          1H5*        G  15 -16.694  -7.050   9.372
  158   2H5*    G  15          2H5*        G  15 -18.214  -6.161   9.604
  159    H4*    G  15           H4*        G  15 -18.542  -7.488   7.716
  160    H3*    G  15           H3*        G  15 -20.210  -7.903   9.871
  161    H1*    G  15           H1*        G  15 -18.738 -10.764   7.664
  162    H8     G  15           H8         G  15 -17.320 -10.572  11.269
  163    H1     G  15           H1         G  15 -15.778 -15.818   7.912
  164   1H2     G  15          1H2         G  15 -16.634 -15.703   5.886
  165   2H2     G  15          2H2         G  15 -17.596 -14.340   5.356
  166    H3T    G  15           H3T        G  15 -20.619  -9.169   7.392
  167   1H2*    G  15          1H2*        G  15 -19.501 -10.053  10.527
  168   2H2*    G  15          2H2*        G  15 -20.538 -10.550   9.197
  169   1H5*    C  16          1H5*        C  16 -15.432 -23.559   6.350
  170   2H5*    C  16          2H5*        C  16 -13.861 -23.662   5.537
  171    H4*    C  16           H4*        C  16 -15.789 -22.395   4.402
  172    H3*    C  16           H3*        C  16 -13.183 -22.244   3.881
  173    H1*    C  16           H1*        C  16 -15.013 -18.950   4.909
  174   1H4     C  16          1H4         C  16 -13.926 -16.426  10.602
  175   2H4     C  16          2H4         C  16 -13.004 -17.817  11.127
  176    H5     C  16           H5         C  16 -12.645 -19.762   9.720
  177    H6     C  16           H6         C  16 -13.115 -20.761   7.546
  178    H5T    C  16           H5T        C  16 -13.009 -22.641   7.140
  179   1H2*    C  16          1H2*        C  16 -12.559 -20.632   5.546
  180   2H2*    C  16          2H2*        C  16 -12.842 -19.582   4.165
  181   1H5*    T  17          1H5*        T  17 -15.960 -19.241   1.142
  182   2H5*    T  17          2H5*        T  17 -15.063 -19.100  -0.385
  183    H4*    T  17           H4*        T  17 -16.303 -17.066   0.204
  184    H3*    T  17           H3*        T  17 -13.831 -17.083  -0.901
  185   1H2*    T  17          1H2*        T  17 -12.540 -16.750   1.081
  186   2H2*    T  17          2H2*        T  17 -12.823 -15.077   0.622
  187    H1*    T  17           H1*        T  17 -14.664 -14.826   2.137
  188    H3     T  17           H3         T  17 -13.274 -14.745   6.372
  189   1H5M    T  17          1H5M        T  17  -9.988 -18.038   4.839
  190   2H5M    T  17          2H5M        T  17 -11.164 -19.154   4.105
  191   3H5M    T  17          3H5M        T  17 -11.163 -18.895   5.866
  192    H6     T  17           H6         T  17 -12.468 -17.738   2.748
  193   1H5*    G  18          1H5*        G  18 -15.582 -13.481   0.849
  194   2H5*    G  18          2H5*        G  18 -15.984 -12.354  -0.462
  195    H4*    G  18           H4*        G  18 -15.902 -10.974   1.356
  196    H3*    G  18           H3*        G  18 -13.822 -10.571  -0.449
  197    H1*    G  18           H1*        G  18 -13.635 -10.318   3.391
  198    H8     G  18           H8         G  18 -11.769 -13.464   2.089
  199    H1     G  18           H1         G  18 -10.314 -11.588   8.057
  200   1H2     G  18          1H2         G  18 -11.450  -9.774   8.578
  201   2H2     G  18          2H2         G  18 -12.567  -9.019   7.463
  202   1H2*    G  18          1H2*        G  18 -12.024 -11.218   0.952
  203   2H2*    G  18          2H2*        G  18 -12.243  -9.589   1.575
  204   1H5*    T  19          1H5*        T  19 -15.129  -7.832   2.402
  205   2H5*    T  19          2H5*        T  19 -15.556  -6.114   2.261
  206    H4*    T  19           H4*        T  19 -14.631  -6.320   4.378
  207    H3*    T  19           H3*        T  19 -13.216  -4.748   2.535
  208   1H2*    T  19          1H2*        T  19 -11.210  -5.994   2.516
  209   2H2*    T  19          2H2*        T  19 -10.938  -5.154   4.037
  210    H1*    T  19           H1*        T  19 -11.840  -6.956   5.353
  211    H3     T  19           H3         T  19  -8.457  -9.842   5.502
  212   1H5M    T  19          1H5M        T  19  -8.515  -9.745   0.655
  213   2H5M    T  19          2H5M        T  19  -9.440 -11.203   1.087
  214   3H5M    T  19          3H5M        T  19 -10.279  -9.782   0.420
  215    H6     T  19           H6         T  19 -11.221  -8.284   1.941
  216   1H5*    G  20          1H5*        G  20 -11.877  -5.520   7.635
  217   2H5*    G  20          2H5*        G  20 -12.237  -3.783   7.740
  218    H4*    G  20           H4*        G  20 -10.497  -4.176   9.258
  219    H3*    G  20           H3*        G  20 -10.073  -2.332   7.300
  220    H1*    G  20           H1*        G  20  -7.413  -4.858   8.382
  221    H8     G  20           H8         G  20  -8.672  -5.624   4.802
  222    H1     G  20           H1         G  20  -3.889  -9.316   6.968
  223   1H2     G  20          1H2         G  20  -3.449  -8.822   9.075
  224   2H2     G  20          2H2         G  20  -4.331  -7.586   9.946
  225   1H2*    G  20          1H2*        G  20  -8.712  -3.688   5.868
  226   2H2*    G  20          2H2*        G  20  -7.478  -2.956   6.884
  227   1H5*    G  21          1H5*        G  21  -7.430  -2.881  10.982
  228   2H5*    G  21          2H5*        G  21  -7.097  -1.272  11.657
  229    H4*    G  21           H4*        G  21  -5.480  -2.789  12.509
  230    H3*    G  21           H3*        G  21  -4.683  -0.471  11.375
  231    H1*    G  21           H1*        G  21  -2.949  -3.849  10.345
  232    H8     G  21           H8         G  21  -5.427  -2.345   7.772
  233    H1     G  21           H1         G  21  -1.963  -7.361   5.749
  234   1H2     G  21          1H2         G  21  -0.697  -8.117   7.385
  235   2H2     G  21          2H2         G  21  -0.700  -7.392   8.978
  236   1H2*    G  21          1H2*        G  21  -4.033  -1.242   9.229
  237   2H2*    G  21          2H2*        G  21  -2.527  -1.545  10.082
  238   1H5*    C  22          1H5*        C  22  -2.070  -4.176  11.240
  239   2H5*    C  22          2H5*        C  22  -1.800  -3.727  12.937
  240    H4*    C  22           H4*        C  22  -0.092  -5.157  12.763
  241    H3*    C  22           H3*        C  22   0.972  -2.724  12.715
  242    H1*    C  22           H1*        C  22   1.868  -5.099   9.647
  243   1H4     C  22          1H4         C  22  -1.097  -3.751   4.228
  244   2H4     C  22          2H4         C  22  -1.905  -2.375   4.942
  245    H5     C  22           H5         C  22  -1.684  -1.782   7.275
  246    H6     C  22           H6         C  22  -0.627  -2.377   9.391
  247   1H2*    C  22          1H2*        C  22   1.037  -2.294  10.376
  248   2H2*    C  22          2H2*        C  22   2.602  -3.077  10.550
  249   1H5*    C  23          1H5*        C  23   2.748  -6.299  10.798
  250   2H5*    C  23          2H5*        C  23   3.879  -6.718  12.101
  251    H4*    C  23           H4*        C  23   4.644  -8.030  10.398
  252    H3*    C  23           H3*        C  23   6.439  -6.193  11.107
  253    H1*    C  23           H1*        C  23   5.553  -6.499   7.303
  254   1H4     C  23          1H4         C  23   2.081  -1.964   4.593
  255   2H4     C  23          2H4         C  23   1.782  -1.172   6.123
  256    H5     C  23           H5         C  23   2.647  -2.015   8.228
  257    H6     C  23           H6         C  23   3.941  -3.795   9.282
  258   1H2*    C  23          1H2*        C  23   5.879  -4.469   9.540
  259   2H2*    C  23          2H2*        C  23   7.120  -5.323   8.634
  260   1H5*    C  24          1H5*        C  24   6.830  -8.543   6.459
  261   2H5*    C  24          2H5*        C  24   8.066  -9.394   7.411
  262    H4*    C  24           H4*        C  24   8.775  -9.608   5.206
  263    H3*    C  24           H3*        C  24  10.511  -8.448   6.850
  264    H1*    C  24           H1*        C  24   9.545  -6.378   3.575
  265   1H4     C  24          1H4         C  24   5.430  -1.649   4.596
  266   2H4     C  24          2H4         C  24   5.758  -1.694   6.313
  267    H5     C  24           H5         C  24   7.189  -3.358   7.338
  268    H6     C  24           H6         C  24   8.599  -5.303   6.925
  269   1H2*    C  24          1H2*        C  24  10.006  -6.154   6.543
  270   2H2*    C  24          2H2*        C  24  11.174  -6.335   5.242
  271   1H5*    T  25          1H5*        T  25   9.657  -7.545   2.414
  272   2H5*    T  25          2H5*        T  25  10.630  -9.030   2.419
  273    H4*    T  25           H4*        T  25  10.680  -8.680   0.211
  274    H3*    T  25           H3*        T  25  13.070  -7.973   1.151
  275   1H2*    T  25          1H2*        T  25  12.904  -5.644   1.437
  276   2H2*    T  25          2H2*        T  25  13.208  -5.606  -0.294
  277    H1*    T  25           H1*        T  25  11.042  -5.049  -0.804
  278    H3     T  25           H3         T  25   8.781  -1.850   1.364
  279   1H5M    T  25          1H5M        T  25  10.314  -3.839   5.481
  280   2H5M    T  25          2H5M        T  25  11.885  -4.470   4.931
  281   3H5M    T  25          3H5M        T  25  11.631  -2.715   5.071
  282    H6     T  25           H6         T  25  11.731  -5.320   2.780
  283   1H5*    G  26          1H5*        G  26  11.736  -6.311  -2.250
  284   2H5*    G  26          2H5*        G  26  12.495  -6.544  -3.838
  285    H4*    G  26           H4*        G  26  11.656  -4.446  -4.070
  286    H3*    G  26           H3*        G  26  14.454  -4.448  -3.710
  287    H1*    G  26           H1*        G  26  11.836  -1.884  -2.603
  288    H8     G  26           H8         G  26  13.488  -3.594   0.473
  289    H1     G  26           H1         G  26  10.430   1.939   1.601
  290   1H2     G  26          1H2         G  26   9.568   2.719  -0.275
  291   2H2     G  26          2H2         G  26   9.744   1.880  -1.801
  292   1H2*    G  26          1H2*        G  26  14.512  -3.114  -1.763
  293   2H2*    G  26          2H2*        G  26  14.230  -1.811  -2.909
  294   1H5*    A  27          1H5*        A  27  11.710  -1.296  -5.352
  295   2H5*    A  27          2H5*        A  27  12.277  -1.212  -7.033
  296    H4*    A  27           H4*        A  27  10.909   0.639  -6.804
  297    H3*    A  27           H3*        A  27  13.402   1.202  -7.521
  298    H1*    A  27           H1*        A  27  11.987   3.111  -4.357
  299    H8     A  27           H8         A  27  13.978  -0.143  -3.608
  300   1H6     A  27          1H6         A  27  14.359   2.036   2.167
  301   2H6     A  27          2H6         A  27  14.780   0.720   1.094
  302    H2     A  27           H2         A  27  12.043   5.000  -0.287
  303   1H2*    A  27          1H2*        A  27  14.391   1.583  -5.382
  304   2H2*    A  27          2H2*        A  27  13.873   3.218  -5.762
  305   1H5*    G  28          1H5*        G  28  11.137   4.712  -5.717
  306   2H5*    G  28          2H5*        G  28  10.607   5.427  -7.253
  307    H4*    G  28           H4*        G  28  10.394   7.235  -5.908
  308    H3*    G  28           H3*        G  28  12.374   7.659  -7.608
  309    H1*    G  28           H1*        G  28  13.278   8.051  -3.781
  310    H8     G  28           H8         G  28  14.494   4.858  -5.546
  311    H1     G  28           H1         G  28  15.831   5.272   0.717
  312   1H2     G  28          1H2         G  28  14.845   7.044   1.581
  313   2H2     G  28          2H2         G  28  13.849   8.117   0.624
  314   1H2*    G  28          1H2*        G  28  14.200   6.754  -6.355
  315   2H2*    G  28          2H2*        G  28  14.298   8.441  -5.870
  316   1H5*    C  29          1H5*        C  29  11.996  10.499  -4.182
  317   2H5*    C  29          2H5*        C  29  11.999  12.224  -4.604
  318    H4*    C  29           H4*        C  29  12.939  12.141  -2.486
  319    H3*    C  29           H3*        C  29  14.588  13.038  -4.536
  320    H1*    C  29           H1*        C  29  15.633  10.898  -1.519
  321   1H4     C  29          1H4         C  29  18.709   5.431  -2.393
  322   2H4     C  29          2H4         C  29  18.213   5.339  -4.069
  323    H5     C  29           H5         C  29  16.819   7.012  -5.123
  324    H6     C  29           H6         C  29  15.622   9.111  -4.788
  325   1H2*    C  29          1H2*        C  29  16.154  11.260  -4.513
  326   2H2*    C  29          2H2*        C  29  16.812  12.190  -3.174
  327   1H5*    C  30          1H5*        C  30  15.275  14.016   0.040
  328   2H5*    C  30          2H5*        C  30  15.839  15.700   0.077
  329    H4*    C  30           H4*        C  30  16.572  14.524   2.044
  330    H3*    C  30           H3*        C  30  18.247  16.090   0.613
  331    H1*    C  30           H1*        C  30  19.358  12.520   1.735
  332   1H4     C  30          1H4         C  30  20.684   8.292  -2.789
  333   2H4     C  30          2H4         C  30  19.602   9.065  -3.926
  334    H5     C  30           H5         C  30  18.348  11.068  -3.390
  335    H6     C  30           H6         C  30  17.887  12.734  -1.670
  336    H3T    C  30           H3T        C  30  18.319  14.787   3.052
  337   1H2*    C  30          1H2*        C  30  19.395  14.428  -0.636
  338   2H2*    C  30          2H2*        C  30  20.402  14.437   0.805
  339   1H    ASP  10          1H        ASP  10  -4.035   9.602   9.522
  340    HA   ASP  10           HA       ASP  10  -2.755  12.185   9.113
  341   1HB   ASP  10          1HB       ASP  10  -2.767  10.013   7.114
  342   2HB   ASP  10          2HB       ASP  10  -3.239  11.600   6.516
  343    H    GLU  11           H        GLU  11  -4.957  10.768   6.858
  344    HA   GLU  11           HA       GLU  11  -7.039  12.638   7.763
  345   1HB   GLU  11          1HB       GLU  11  -6.063  12.086   4.960
  346   2HB   GLU  11          2HB       GLU  11  -7.599  12.867   5.288
  347   1HG   GLU  11          1HG       GLU  11  -4.935  13.910   6.192
  348   2HG   GLU  11          2HG       GLU  11  -5.790  14.425   4.740
  349    H    LEU  12           H        LEU  12  -9.117  12.083   6.323
  350    HA   LEU  12           HA       LEU  12  -9.659   9.247   6.785
  351   1HB   LEU  12          1HB       LEU  12 -11.527  11.539   6.170
  352   2HB   LEU  12          2HB       LEU  12 -12.024   9.892   6.508
  353    HG   LEU  12           HG       LEU  12 -10.572  11.684   8.457
  354   1HD1  LEU  12          1HD1      LEU  12 -13.478  10.890   8.325
  355   2HD1  LEU  12          2HD1      LEU  12 -12.823  12.497   8.010
  356   3HD1  LEU  12          3HD1      LEU  12 -12.716  11.802   9.628
  357   1HD2  LEU  12          1HD2      LEU  12 -11.852   8.975   8.811
  358   2HD2  LEU  12          2HD2      LEU  12 -11.150   9.959  10.095
  359   3HD2  LEU  12          3HD2      LEU  12 -10.122   9.315   8.814
  360    H    CYS  13           H        CYS  13 -10.445   7.903   5.189
  361    HA   CYS  13           HA       CYS  13  -9.497   8.479   2.549
  362   1HB   CYS  13          1HB       CYS  13  -9.297   6.240   3.526
  363   2HB   CYS  13          2HB       CYS  13 -11.049   6.114   3.625
  364    HG   CYS  13           HG       CYS  13 -10.148   4.485   1.543
  365    HA   PRO  14           HA       PRO  14 -13.321  10.365   1.205
  366   1HB   PRO  14          1HB       PRO  14 -12.601  10.542  -1.435
  367   2HB   PRO  14          2HB       PRO  14 -12.118  11.701  -0.194
  368   1HG   PRO  14          1HG       PRO  14 -10.581   9.418  -1.357
  369   2HG   PRO  14          2HG       PRO  14 -10.023  11.045  -0.930
  370   1HD   PRO  14          1HD       PRO  14  -9.548   8.901   0.636
  371   2HD   PRO  14          2HD       PRO  14  -9.815  10.523   1.306
  372    H    VAL  15           H        VAL  15 -12.096   7.316   0.373
  373    HA   VAL  15           HA       VAL  15 -14.228   6.571  -1.437
  374    HB   VAL  15           HB       VAL  15 -12.107   4.907  -0.058
  375   1HG1  VAL  15          1HG1      VAL  15 -12.732   3.116  -1.612
  376   2HG1  VAL  15          2HG1      VAL  15 -14.074   4.099  -2.198
  377   3HG1  VAL  15          3HG1      VAL  15 -14.059   3.533  -0.528
  378   1HG2  VAL  15          1HG2      VAL  15 -11.208   6.458  -1.694
  379   2HG2  VAL  15          2HG2      VAL  15 -12.350   5.868  -2.901
  380   3HG2  VAL  15          3HG2      VAL  15 -11.092   4.799  -2.282
  381    H    CYS  16           H        CYS  16 -13.351   5.875   1.958
  382    HA   CYS  16           HA       CYS  16 -16.016   4.685   2.315
  383   1HB   CYS  16          1HB       CYS  16 -14.807   2.955   3.780
  384   2HB   CYS  16          2HB       CYS  16 -14.674   2.791   2.031
  385    HG   CYS  16           HG       CYS  16 -12.107   2.966   1.872
  386    H    GLY  17           H        GLY  17 -13.632   6.775   3.556
  387   1HA   GLY  17          1HA       GLY  17 -13.940   8.209   5.391
  388   2HA   GLY  17          2HA       GLY  17 -15.178   7.124   6.005
  389    H    ASP  18           H        ASP  18 -12.719   5.158   5.181
  390    HA   ASP  18           HA       ASP  18 -11.923   4.704   7.886
  391   1HB   ASP  18          1HB       ASP  18 -12.133   2.884   6.224
  392   2HB   ASP  18          2HB       ASP  18 -10.793   3.568   5.314
  393    H    LYS  19           H        LYS  19  -9.588   4.629   8.541
  394    HA   LYS  19           HA       LYS  19  -8.501   7.259   8.120
  395   1HB   LYS  19          1HB       LYS  19  -7.432   4.916   9.708
  396   2HB   LYS  19          2HB       LYS  19  -6.736   6.527   9.715
  397   1HG   LYS  19          1HG       LYS  19  -8.007   6.370  11.678
  398   2HG   LYS  19          2HG       LYS  19  -8.969   7.349  10.572
  399   1HD   LYS  19          1HD       LYS  19 -10.434   5.539  10.109
  400   2HD   LYS  19          2HD       LYS  19  -9.361   4.381  10.896
  401   1HE   LYS  19          1HE       LYS  19 -10.803   6.635  12.287
  402   2HE   LYS  19          2HE       LYS  19 -11.335   4.954  12.266
  403   1HZ   LYS  19          1HZ       LYS  19  -8.810   5.995  13.444
  404   2HZ   LYS  19          2HZ       LYS  19  -9.221   4.351  13.341
  405   3HZ   LYS  19          3HZ       LYS  19 -10.155   5.402  14.293
  406    H    VAL  20           H        VAL  20  -7.024   7.835   6.632
  407    HA   VAL  20           HA       VAL  20  -5.968   5.845   4.861
  408    HB   VAL  20           HB       VAL  20  -5.004   7.610   3.588
  409   1HG1  VAL  20          1HG1      VAL  20  -6.929   9.061   3.187
  410   2HG1  VAL  20          2HG1      VAL  20  -7.654   8.501   4.694
  411   3HG1  VAL  20          3HG1      VAL  20  -7.394   7.369   3.366
  412   1HG2  VAL  20          1HG2      VAL  20  -4.904   9.923   4.301
  413   2HG2  VAL  20          2HG2      VAL  20  -4.010   8.896   5.422
  414   3HG2  VAL  20          3HG2      VAL  20  -5.611   9.493   5.860
  415    H    SER  21           H        SER  21  -3.924   5.089   4.666
  416    HA   SER  21           HA       SER  21  -2.189   5.510   6.972
  417   1HB   SER  21          1HB       SER  21  -2.696   3.197   6.345
  418   2HB   SER  21          2HB       SER  21  -2.061   3.479   4.726
  419    HG   SER  21           HG       SER  21  -0.110   4.180   6.225
  420    H    GLY  22           H        GLY  22  -2.631   7.074   4.219
  421   1HA   GLY  22          1HA       GLY  22  -0.880   8.831   3.881
  422   2HA   GLY  22          2HA       GLY  22   0.252   7.492   3.754
  423    H    TYR  23           H        TYR  23   0.410   9.049   1.728
  424    HA   TYR  23           HA       TYR  23  -1.394   8.826  -0.374
  425   1HB   TYR  23          1HB       TYR  23   1.589   9.259  -0.426
  426   2HB   TYR  23          2HB       TYR  23   0.527   9.462  -1.822
  427    HD1  TYR  23           HD1      TYR  23  -1.389  11.120  -1.620
  428    HD2  TYR  23           HD2      TYR  23   1.870  11.013   1.106
  429    HE1  TYR  23           HE1      TYR  23  -1.942  13.397  -0.883
  430    HE2  TYR  23           HE2      TYR  23   1.329  13.293   1.850
  431    HH   TYR  23           HH       TYR  23   0.115  15.331   0.793
  432    H    HIS  24           H        HIS  24  -2.098   7.134  -1.365
  433    HA   HIS  24           HA       HIS  24  -0.223   4.988  -2.085
  434   1HB   HIS  24          1HB       HIS  24  -3.064   4.606  -1.103
  435   2HB   HIS  24          2HB       HIS  24  -2.029   3.334  -1.726
  436    HD1  HIS  24           HD1      HIS  24   0.517   4.414   0.006
  437    HD2  HIS  24           HD2      HIS  24  -3.273   3.405   1.379
  438    HE1  HIS  24           HE1      HIS  24   0.820   3.765   2.419
  439    HE2  HIS  24           HE2      HIS  24  -1.440   2.883   3.126
  440    H    TYR  25           H        TYR  25  -0.174   4.768  -4.218
  441    HA   TYR  25           HA       TYR  25  -0.840   4.405  -6.344
  442   1HB   TYR  25          1HB       TYR  25  -3.652   4.628  -5.251
  443   2HB   TYR  25          2HB       TYR  25  -3.244   4.122  -6.887
  444    HD1  TYR  25           HD1      TYR  25  -2.882   3.207  -3.313
  445    HD2  TYR  25           HD2      TYR  25  -2.641   1.877  -7.344
  446    HE1  TYR  25           HE1      TYR  25  -2.649   0.895  -2.528
  447    HE2  TYR  25           HE2      TYR  25  -2.409  -0.444  -6.565
  448    HH   TYR  25           HH       TYR  25  -1.700  -1.645  -4.602
  449    H    GLY  26           H        GLY  26  -3.326   6.728  -5.253
  450   1HA   GLY  26          1HA       GLY  26  -2.195   8.634  -7.209
  451   2HA   GLY  26          2HA       GLY  26  -3.922   8.329  -7.135
  452    H    LEU  27           H        LEU  27  -3.723   8.140  -4.135
  453    HA   LEU  27           HA       LEU  27  -2.884  10.726  -3.236
  454   1HB   LEU  27          1HB       LEU  27  -4.996  11.606  -2.572
  455   2HB   LEU  27          2HB       LEU  27  -5.115  11.213  -4.270
  456    HG   LEU  27           HG       LEU  27  -6.178   9.424  -2.085
  457   1HD1  LEU  27          1HD1      LEU  27  -7.642  11.482  -3.732
  458   2HD1  LEU  27          2HD1      LEU  27  -7.313  11.577  -2.002
  459   3HD1  LEU  27          3HD1      LEU  27  -8.384  10.323  -2.629
  460   1HD2  LEU  27          1HD2      LEU  27  -7.452   8.398  -3.873
  461   2HD2  LEU  27          2HD2      LEU  27  -5.730   8.335  -4.246
  462   3HD2  LEU  27          3HD2      LEU  27  -6.763   9.521  -5.043
  463    H    LEU  28           H        LEU  28  -4.041  10.905  -0.843
  464    HA   LEU  28           HA       LEU  28  -2.967   8.586   0.452
  465   1HB   LEU  28          1HB       LEU  28  -3.207   9.682   2.515
  466   2HB   LEU  28          2HB       LEU  28  -2.556  10.812   1.359
  467    HG   LEU  28           HG       LEU  28  -5.416  10.778   2.318
  468   1HD1  LEU  28          1HD1      LEU  28  -4.707  12.725   3.621
  469   2HD1  LEU  28          2HD1      LEU  28  -3.052  12.486   3.049
  470   3HD1  LEU  28          3HD1      LEU  28  -3.815  11.268   4.067
  471   1HD2  LEU  28          1HD2      LEU  28  -3.869  12.697   0.573
  472   2HD2  LEU  28          2HD2      LEU  28  -5.385  13.110   1.370
  473   3HD2  LEU  28          3HD2      LEU  28  -5.349  11.824   0.167
  474    H    THR  29           H        THR  29  -3.949   6.830   0.794
  475    HA   THR  29           HA       THR  29  -6.836   6.813   1.314
  476    HB   THR  29           HB       THR  29  -6.810   4.572   0.044
  477    HG1  THR  29           HG1      THR  29  -4.856   5.531  -1.628
  478   1HG2  THR  29          1HG2      THR  29  -7.977   6.562  -0.766
  479   2HG2  THR  29          2HG2      THR  29  -7.221   5.691  -2.101
  480   3HG2  THR  29          3HG2      THR  29  -6.477   7.163  -1.475
  481    H    CYS  30           H        CYS  30  -7.499   4.617   2.210
  482    HA   CYS  30           HA       CYS  30  -5.736   4.077   4.440
  483   1HB   CYS  30          1HB       CYS  30  -7.662   2.715   5.256
  484   2HB   CYS  30          2HB       CYS  30  -8.067   4.399   4.941
  485    HG   CYS  30           HG       CYS  30 -10.132   2.538   4.197
  486    H    GLU  31           H        GLU  31  -5.461   1.788   5.150
  487    HA   GLU  31           HA       GLU  31  -4.254   0.246   3.115
  488   1HB   GLU  31          1HB       GLU  31  -5.053  -0.516   5.930
  489   2HB   GLU  31          2HB       GLU  31  -4.015  -1.477   4.882
  490   1HG   GLU  31          1HG       GLU  31  -3.427   1.308   5.861
  491   2HG   GLU  31          2HG       GLU  31  -2.724  -0.180   6.493
  492    H    SER  32           H        SER  32  -7.412   0.258   4.587
  493    HA   SER  32           HA       SER  32  -8.479  -2.124   3.679
  494   1HB   SER  32          1HB       SER  32  -9.834   0.582   3.850
  495   2HB   SER  32          2HB       SER  32 -10.661  -0.974   3.770
  496    HG   SER  32           HG       SER  32  -9.554   0.297   5.911
  497    H    CYS  33           H        CYS  33  -8.244   0.996   1.975
  498    HA   CYS  33           HA       CYS  33  -9.411  -0.066  -0.419
  499   1HB   CYS  33          1HB       CYS  33  -8.005   2.544   0.148
  500   2HB   CYS  33          2HB       CYS  33  -8.703   2.133  -1.417
  501    HG   CYS  33           HG       CYS  33 -10.999   3.093  -0.859
  502    H    LYS  34           H        LYS  34  -6.112   0.780   0.619
  503    HA   LYS  34           HA       LYS  34  -4.715   0.211  -1.699
  504   1HB   LYS  34          1HB       LYS  34  -3.788   1.043   0.520
  505   2HB   LYS  34          2HB       LYS  34  -3.781  -0.632   1.053
  506   1HG   LYS  34          1HG       LYS  34  -2.251  -1.201  -0.776
  507   2HG   LYS  34          2HG       LYS  34  -2.250   0.485  -1.291
  508   1HD   LYS  34          1HD       LYS  34  -0.311   0.355  -0.032
  509   2HD   LYS  34          2HD       LYS  34  -1.476   0.964   1.143
  510   1HE   LYS  34          1HE       LYS  34  -1.801  -1.327   1.979
  511   2HE   LYS  34          2HE       LYS  34  -0.600  -1.907   0.826
  512   1HZ   LYS  34          1HZ       LYS  34   0.932  -0.206   1.974
  513   2HZ   LYS  34          2HZ       LYS  34   0.596  -1.657   2.772
  514   3HZ   LYS  34          3HZ       LYS  34  -0.210  -0.241   3.235
  515    H    GLY  35           H        GLY  35  -5.658  -2.075   0.859
  516   1HA   GLY  35          1HA       GLY  35  -4.585  -4.382  -0.376
  517   2HA   GLY  35          2HA       GLY  35  -5.803  -4.362   0.890
  518    H    PHE  36           H        PHE  36  -7.944  -3.186  -0.231
  519    HA   PHE  36           HA       PHE  36  -9.064  -5.261  -1.748
  520   1HB   PHE  36          1HB       PHE  36 -10.406  -3.725  -0.379
  521   2HB   PHE  36          2HB       PHE  36 -10.020  -2.403  -1.474
  522    HD1  PHE  36           HD1      PHE  36 -11.805  -5.621  -1.187
  523    HD2  PHE  36           HD2      PHE  36 -11.232  -2.077  -3.475
  524    HE1  PHE  36           HE1      PHE  36 -13.776  -6.184  -2.546
  525    HE2  PHE  36           HE2      PHE  36 -13.202  -2.636  -4.838
  526    HZ   PHE  36           HZ       PHE  36 -14.476  -4.691  -4.375
  527    H    PHE  37           H        PHE  37  -7.723  -2.140  -2.727
  528    HA   PHE  37           HA       PHE  37  -8.493  -2.174  -5.407
  529   1HB   PHE  37          1HB       PHE  37  -7.408  -0.268  -4.103
  530   2HB   PHE  37          2HB       PHE  37  -5.869  -1.061  -4.416
  531    HD1  PHE  37           HD1      PHE  37  -8.717   0.679  -5.938
  532    HD2  PHE  37           HD2      PHE  37  -4.848  -0.971  -6.577
  533    HE1  PHE  37           HE1      PHE  37  -8.589   1.831  -8.107
  534    HE2  PHE  37           HE2      PHE  37  -4.713   0.178  -8.748
  535    HZ   PHE  37           HZ       PHE  37  -6.584   1.583  -9.514
  536    H    LYS  38           H        LYS  38  -5.455  -3.338  -3.913
  537    HA   LYS  38           HA       LYS  38  -4.353  -4.380  -6.272
  538   1HB   LYS  38          1HB       LYS  38  -3.936  -4.927  -3.377
  539   2HB   LYS  38          2HB       LYS  38  -3.297  -6.089  -4.531
  540   1HG   LYS  38          1HG       LYS  38  -2.092  -4.237  -5.649
  541   2HG   LYS  38          2HG       LYS  38  -2.650  -3.158  -4.368
  542   1HD   LYS  38          1HD       LYS  38  -0.970  -5.633  -3.971
  543   2HD   LYS  38          2HD       LYS  38  -0.370  -3.974  -3.956
  544   1HE   LYS  38          1HE       LYS  38  -2.376  -5.167  -2.047
  545   2HE   LYS  38          2HE       LYS  38  -0.689  -4.798  -1.689
  546   1HZ   LYS  38          1HZ       LYS  38  -1.178  -2.455  -2.140
  547   2HZ   LYS  38          2HZ       LYS  38  -2.110  -3.060  -0.866
  548   3HZ   LYS  38          3HZ       LYS  38  -2.809  -2.835  -2.391
  549    H    ARG  39           H        ARG  39  -6.376  -6.014  -3.822
  550    HA   ARG  39           HA       ARG  39  -6.184  -8.570  -4.908
  551   1HB   ARG  39          1HB       ARG  39  -8.452  -7.357  -3.338
  552   2HB   ARG  39          2HB       ARG  39  -8.275  -9.075  -3.676
  553   1HG   ARG  39          1HG       ARG  39  -6.366  -7.367  -2.113
  554   2HG   ARG  39          2HG       ARG  39  -7.489  -8.551  -1.443
  555   1HD   ARG  39          1HD       ARG  39  -5.152  -9.093  -3.272
  556   2HD   ARG  39          2HD       ARG  39  -5.245  -9.466  -1.553
  557    HE   ARG  39           HE       ARG  39  -7.237 -10.932  -2.333
  558   1HH1  ARG  39          1HH1      ARG  39  -4.287 -10.348  -4.138
  559   2HH1  ARG  39          2HH1      ARG  39  -4.276 -11.910  -4.899
  560   1HH2  ARG  39          1HH2      ARG  39  -7.230 -13.007  -3.321
  561   2HH2  ARG  39          2HH2      ARG  39  -5.956 -13.427  -4.433
  562    H    THR  40           H        THR  40  -8.617  -6.063  -5.490
  563    HA   THR  40           HA       THR  40 -10.225  -7.541  -7.262
  564    HB   THR  40           HB       THR  40  -9.830  -4.543  -7.272
  565    HG1  THR  40           HG1      THR  40 -10.360  -5.006  -5.191
  566   1HG2  THR  40          1HG2      THR  40 -12.167  -4.504  -8.020
  567   2HG2  THR  40          2HG2      THR  40 -12.197  -6.267  -8.016
  568   3HG2  THR  40          3HG2      THR  40 -11.150  -5.406  -9.144
  569    H    VAL  41           H        VAL  41  -7.613  -5.211  -7.871
  570    HA   VAL  41           HA       VAL  41  -7.712  -5.318 -10.682
  571    HB   VAL  41           HB       VAL  41  -5.544  -4.490  -8.759
  572   1HG1  VAL  41          1HG1      VAL  41  -5.502  -4.103 -11.748
  573   2HG1  VAL  41          2HG1      VAL  41  -4.514  -5.271 -10.869
  574   3HG1  VAL  41          3HG1      VAL  41  -4.298  -3.539 -10.579
  575   1HG2  VAL  41          1HG2      VAL  41  -6.137  -2.239  -9.528
  576   2HG2  VAL  41          2HG2      VAL  41  -7.517  -3.077  -8.818
  577   3HG2  VAL  41          3HG2      VAL  41  -7.381  -2.930 -10.570
  578    H    GLN  42           H        GLN  42  -5.610  -7.017  -8.365
  579    HA   GLN  42           HA       GLN  42  -4.014  -8.300 -10.313
  580   1HB   GLN  42          1HB       GLN  42  -4.563  -8.998  -7.437
  581   2HB   GLN  42          2HB       GLN  42  -3.341  -9.788  -8.422
  582   1HG   GLN  42          1HG       GLN  42  -2.114  -7.748  -8.648
  583   2HG   GLN  42          2HG       GLN  42  -3.398  -6.837  -7.852
  584   1HE2  GLN  42          1HE2      GLN  42  -0.573  -7.136  -7.166
  585   2HE2  GLN  42          2HE2      GLN  42  -0.539  -7.756  -5.549
  586    H    ASN  43           H        ASN  43  -7.033  -9.227  -8.734
  587    HA   ASN  43           HA       ASN  43  -6.895 -11.919  -9.816
  588   1HB   ASN  43          1HB       ASN  43  -9.012 -10.436  -8.250
  589   2HB   ASN  43          2HB       ASN  43  -9.256 -12.061  -8.875
  590   1HD2  ASN  43          1HD2      ASN  43  -6.161 -10.969  -7.675
  591   2HD2  ASN  43          2HD2      ASN  43  -6.162 -11.942  -6.249
  592    H    ASN  44           H        ASN  44  -7.530  -8.952 -11.000
  593    HA   ASN  44           HA       ASN  44  -8.535  -8.086 -12.834
  594   1HB   ASN  44          1HB       ASN  44  -8.790 -10.961 -13.751
  595   2HB   ASN  44          2HB       ASN  44  -8.891  -9.528 -14.765
  596   1HD2  ASN  44          1HD2      ASN  44  -6.619  -8.328 -13.117
  597   2HD2  ASN  44          2HD2      ASN  44  -5.213  -9.075 -13.789
  598    H    LYS  45           H        LYS  45 -10.038  -8.819 -10.506
  599    HA   LYS  45           HA       LYS  45 -12.490 -10.060 -11.261
  600   1HB   LYS  45          1HB       LYS  45 -11.478  -8.673  -8.809
  601   2HB   LYS  45          2HB       LYS  45 -13.173  -9.092  -8.948
  602   1HG   LYS  45          1HG       LYS  45 -12.519 -11.448  -9.327
  603   2HG   LYS  45          2HG       LYS  45 -10.841 -10.983  -9.044
  604   1HD   LYS  45          1HD       LYS  45 -11.382 -10.276  -6.794
  605   2HD   LYS  45          2HD       LYS  45 -13.092 -10.615  -7.071
  606   1HE   LYS  45          1HE       LYS  45 -12.535 -12.987  -7.430
  607   2HE   LYS  45          2HE       LYS  45 -10.845 -12.627  -7.080
  608   1HZ   LYS  45          1HZ       LYS  45 -11.494 -11.915  -4.865
  609   2HZ   LYS  45          2HZ       LYS  45 -11.970 -13.515  -5.145
  610   3HZ   LYS  45          3HZ       LYS  45 -13.119 -12.270  -5.204
  611    H    HIS  46           H        HIS  46 -13.966  -9.152 -12.448
  612    HA   HIS  46           HA       HIS  46 -14.255  -6.229 -12.340
  613   1HB   HIS  46          1HB       HIS  46 -15.125  -8.167 -14.498
  614   2HB   HIS  46          2HB       HIS  46 -15.352  -6.420 -14.541
  615    HD1  HIS  46           HD1      HIS  46 -13.562  -8.311 -16.499
  616    HD2  HIS  46           HD2      HIS  46 -12.233  -5.701 -13.542
  617    HE1  HIS  46           HE1      HIS  46 -11.204  -7.703 -17.134
  618    HE2  HIS  46           HE2      HIS  46 -10.517  -5.940 -15.464
  619    H    TYR  47           H        TYR  47 -15.471  -6.312 -10.442
  620    HA   TYR  47           HA       TYR  47 -17.900  -7.753 -10.208
  621   1HB   TYR  47          1HB       TYR  47 -16.867  -5.310  -8.758
  622   2HB   TYR  47          2HB       TYR  47 -18.368  -6.124  -8.340
  623    HD1  TYR  47           HD1      TYR  47 -18.271  -8.504  -7.528
  624    HD2  TYR  47           HD2      TYR  47 -14.787  -6.103  -7.967
  625    HE1  TYR  47           HE1      TYR  47 -17.052 -10.009  -6.015
  626    HE2  TYR  47           HE2      TYR  47 -13.556  -7.607  -6.459
  627    HH   TYR  47           HH       TYR  47 -14.783 -10.656  -5.484
  628    H    THR  48           H        THR  48 -20.044  -6.710 -10.014
  629    HA   THR  48           HA       THR  48 -20.317  -4.367 -11.764
  630    HB   THR  48           HB       THR  48 -20.917  -6.490 -12.976
  631    HG1  THR  48           HG1      THR  48 -22.203  -5.199 -14.037
  632   1HG2  THR  48          1HG2      THR  48 -21.881  -7.729 -11.104
  633   2HG2  THR  48          2HG2      THR  48 -23.049  -7.574 -12.417
  634   3HG2  THR  48          3HG2      THR  48 -23.190  -6.553 -10.985
  635    H    CYS  49           H        CYS  49 -22.815  -3.700 -11.578
  636    HA   CYS  49           HA       CYS  49 -23.926  -3.974  -8.947
  637   1HB   CYS  49          1HB       CYS  49 -22.124  -2.319  -8.535
  638   2HB   CYS  49          2HB       CYS  49 -22.802  -1.285  -9.786
  639    HG   CYS  49           HG       CYS  49 -24.872  -2.144  -7.252
  640    H    THR  50           H        THR  50 -26.011  -2.891  -8.804
  641    HA   THR  50           HA       THR  50 -27.177  -2.507 -11.467
  642    HB   THR  50           HB       THR  50 -29.373  -2.758 -10.193
  643    HG1  THR  50           HG1      THR  50 -29.080  -3.915  -8.151
  644   1HG2  THR  50          1HG2      THR  50 -27.442  -5.082 -10.200
  645   2HG2  THR  50          2HG2      THR  50 -28.439  -4.557 -11.557
  646   3HG2  THR  50          3HG2      THR  50 -29.199  -5.205 -10.103
  647    H    GLU  51           H        GLU  51 -28.634  -0.821 -11.848
  648    HA   GLU  51           HA       GLU  51 -29.407   1.291 -11.852
  649   1HB   GLU  51          1HB       GLU  51 -29.193   1.085  -8.848
  650   2HB   GLU  51          2HB       GLU  51 -30.151   2.258  -9.741
  651   1HG   GLU  51          1HG       GLU  51 -30.566  -0.722  -9.671
  652   2HG   GLU  51          2HG       GLU  51 -31.569   0.505  -8.897
  653    H    SER  52           H        SER  52 -27.616   1.927  -8.902
  654    HA   SER  52           HA       SER  52 -26.648   4.361  -9.960
  655   1HB   SER  52          1HB       SER  52 -25.703   2.942  -7.463
  656   2HB   SER  52          2HB       SER  52 -25.618   4.671  -7.808
  657    HG   SER  52           HG       SER  52 -28.034   4.451  -8.009
  658    H    GLN  53           H        GLN  53 -24.891   1.442  -8.907
  659    HA   GLN  53           HA       GLN  53 -22.914   0.529  -9.494
  660   1HB   GLN  53          1HB       GLN  53 -23.110   2.342 -11.897
  661   2HB   GLN  53          2HB       GLN  53 -21.870   1.116 -11.677
  662   1HG   GLN  53          1HG       GLN  53 -23.760  -0.555 -11.460
  663   2HG   GLN  53          2HG       GLN  53 -24.820   0.728 -12.044
  664   1HE2  GLN  53          1HE2      GLN  53 -24.121  -1.844 -13.234
  665   2HE2  GLN  53          2HE2      GLN  53 -23.461  -1.486 -14.795
  666    H    SER  54           H        SER  54 -23.099   4.010  -9.461
  667    HA   SER  54           HA       SER  54 -20.350   4.130  -8.437
  668   1HB   SER  54          1HB       SER  54 -22.203   6.391  -9.242
  669   2HB   SER  54          2HB       SER  54 -20.498   6.538  -8.814
  670    HG   SER  54           HG       SER  54 -20.352   4.849 -10.663
  671    H    CYS  55           H        CYS  55 -22.167   2.900  -6.809
  672    HA   CYS  55           HA       CYS  55 -23.624   4.555  -5.073
  673   1HB   CYS  55          1HB       CYS  55 -22.460   1.818  -4.526
  674   2HB   CYS  55          2HB       CYS  55 -23.751   2.595  -3.614
  675    HG   CYS  55           HG       CYS  55 -25.716   1.899  -5.138
  676    H    LYS  56           H        LYS  56 -23.155   4.465  -2.617
  677    HA   LYS  56           HA       LYS  56 -20.573   5.801  -2.303
  678   1HB   LYS  56          1HB       LYS  56 -22.775   5.676  -0.254
  679   2HB   LYS  56          2HB       LYS  56 -21.504   6.880  -0.419
  680   1HG   LYS  56          1HG       LYS  56 -22.548   7.610  -2.547
  681   2HG   LYS  56          2HG       LYS  56 -23.874   6.490  -2.230
  682   1HD   LYS  56          1HD       LYS  56 -24.163   7.700  -0.015
  683   2HD   LYS  56          2HD       LYS  56 -23.078   8.931  -0.666
  684   1HE   LYS  56          1HE       LYS  56 -25.727   8.058  -1.804
  685   2HE   LYS  56          2HE       LYS  56 -25.359   9.603  -1.041
  686   1HZ   LYS  56          1HZ       LYS  56 -24.031   8.651  -3.523
  687   2HZ   LYS  56          2HZ       LYS  56 -23.971  10.206  -2.850
  688   3HZ   LYS  56          3HZ       LYS  56 -25.417   9.625  -3.515
  689    H    ILE  57           H        ILE  57 -19.115   5.236  -0.672
  690    HA   ILE  57           HA       ILE  57 -19.520   2.523   0.401
  691    HB   ILE  57           HB       ILE  57 -16.916   3.852  -0.368
  692   1HG1  ILE  57          1HG1      ILE  57 -18.203   3.181  -2.321
  693   2HG1  ILE  57          2HG1      ILE  57 -16.826   2.104  -2.116
  694   1HG2  ILE  57          1HG2      ILE  57 -17.414   1.057   0.647
  695   2HG2  ILE  57          2HG2      ILE  57 -16.671   2.367   1.564
  696   3HG2  ILE  57          3HG2      ILE  57 -15.861   1.721   0.135
  697   1HD1  ILE  57          1HD1      ILE  57 -18.294   0.420  -1.126
  698   2HD1  ILE  57          2HD1      ILE  57 -18.816   0.872  -2.749
  699   3HD1  ILE  57          3HD1      ILE  57 -19.672   1.501  -1.341
  700    H    ASP  58           H        ASP  58 -19.645   2.392   2.528
  701    HA   ASP  58           HA       ASP  58 -18.442   4.538   4.154
  702   1HB   ASP  58          1HB       ASP  58 -21.102   3.144   4.506
  703   2HB   ASP  58          2HB       ASP  58 -20.331   4.055   5.797
  704    H    LYS  59           H        LYS  59 -18.652   3.604   6.617
  705    HA   LYS  59           HA       LYS  59 -16.948   1.357   6.825
  706   1HB   LYS  59          1HB       LYS  59 -17.206   3.141   8.555
  707   2HB   LYS  59          2HB       LYS  59 -18.811   2.525   8.910
  708   1HG   LYS  59          1HG       LYS  59 -16.481   0.688   9.099
  709   2HG   LYS  59          2HG       LYS  59 -16.759   1.866  10.383
  710   1HD   LYS  59          1HD       LYS  59 -19.083   0.978  10.589
  711   2HD   LYS  59          2HD       LYS  59 -18.651  -0.281   9.429
  712   1HE   LYS  59          1HE       LYS  59 -18.458  -1.133  11.683
  713   2HE   LYS  59          2HE       LYS  59 -16.863  -1.029  10.938
  714   1HZ   LYS  59          1HZ       LYS  59 -16.773  -0.204  13.182
  715   2HZ   LYS  59          2HZ       LYS  59 -18.026   0.899  12.880
  716   3HZ   LYS  59          3HZ       LYS  59 -16.526   1.087  12.113
  717    H    THR  60           H        THR  60 -20.360   1.813   6.659
  718    HA   THR  60           HA       THR  60 -21.004  -0.945   7.238
  719    HB   THR  60           HB       THR  60 -23.337  -0.125   6.525
  720    HG1  THR  60           HG1      THR  60 -23.279   2.346   6.866
  721   1HG2  THR  60          1HG2      THR  60 -22.677  -0.403   8.869
  722   2HG2  THR  60          2HG2      THR  60 -23.704   1.016   8.664
  723   3HG2  THR  60          3HG2      THR  60 -21.962   1.209   8.863
  724    H    GLN  61           H        GLN  61 -21.115   1.265   4.455
  725    HA   GLN  61           HA       GLN  61 -22.165  -0.766   2.717
  726   1HB   GLN  61          1HB       GLN  61 -21.195   2.013   2.063
  727   2HB   GLN  61          2HB       GLN  61 -22.044   0.947   0.956
  728   1HG   GLN  61          1HG       GLN  61 -23.925   0.937   2.670
  729   2HG   GLN  61          2HG       GLN  61 -23.088   2.297   3.419
  730   1HE2  GLN  61          1HE2      GLN  61 -22.907   4.258   2.270
  731   2HE2  GLN  61          2HE2      GLN  61 -23.979   4.618   0.953
  732    H    ARG  62           H        ARG  62 -19.225  -0.632   3.903
  733    HA   ARG  62           HA       ARG  62 -17.505  -0.482   1.682
  734   1HB   ARG  62          1HB       ARG  62 -15.834  -1.599   3.144
  735   2HB   ARG  62          2HB       ARG  62 -16.596  -0.197   3.876
  736   1HG   ARG  62          1HG       ARG  62 -18.094  -1.731   5.128
  737   2HG   ARG  62          2HG       ARG  62 -17.183  -3.091   4.467
  738   1HD   ARG  62          1HD       ARG  62 -15.153  -2.282   5.519
  739   2HD   ARG  62          2HD       ARG  62 -16.000  -0.846   6.097
  740    HE   ARG  62           HE       ARG  62 -17.394  -2.990   7.129
  741   1HH1  ARG  62          1HH1      ARG  62 -14.085  -1.838   7.299
  742   2HH1  ARG  62          2HH1      ARG  62 -13.845  -2.362   8.936
  743   1HH2  ARG  62          1HH2      ARG  62 -17.075  -3.686   9.303
  744   2HH2  ARG  62          2HH2      ARG  62 -15.534  -3.408  10.072
  745    H    LYS  63           H        LYS  63 -19.298  -3.191   3.040
  746    HA   LYS  63           HA       LYS  63 -18.057  -4.983   1.087
  747   1HB   LYS  63          1HB       LYS  63 -19.974  -5.586   3.337
  748   2HB   LYS  63          2HB       LYS  63 -19.298  -6.784   2.246
  749   1HG   LYS  63          1HG       LYS  63 -17.015  -5.979   3.065
  750   2HG   LYS  63          2HG       LYS  63 -17.913  -5.186   4.366
  751   1HD   LYS  63          1HD       LYS  63 -18.939  -7.358   4.936
  752   2HD   LYS  63          2HD       LYS  63 -17.961  -8.126   3.686
  753   1HE   LYS  63          1HE       LYS  63 -15.929  -7.309   4.893
  754   2HE   LYS  63          2HE       LYS  63 -16.992  -6.768   6.194
  755   1HZ   LYS  63          1HZ       LYS  63 -17.826  -9.154   6.218
  756   2HZ   LYS  63          2HZ       LYS  63 -16.278  -8.879   6.841
  757   3HZ   LYS  63          3HZ       LYS  63 -16.457  -9.536   5.290
  758    H    ARG  64           H        ARG  64 -20.657  -2.925   1.177
  759    HA   ARG  64           HA       ARG  64 -22.741  -4.572   0.220
  760   1HB   ARG  64          1HB       ARG  64 -22.293  -1.631   0.410
  761   2HB   ARG  64          2HB       ARG  64 -23.638  -2.230  -0.548
  762   1HG   ARG  64          1HG       ARG  64 -24.232  -1.618   1.773
  763   2HG   ARG  64          2HG       ARG  64 -24.617  -3.281   1.350
  764   1HD   ARG  64          1HD       ARG  64 -22.005  -2.705   2.652
  765   2HD   ARG  64          2HD       ARG  64 -23.465  -2.659   3.640
  766    HE   ARG  64           HE       ARG  64 -23.396  -5.046   2.116
  767   1HH1  ARG  64          1HH1      ARG  64 -21.848  -3.507   4.864
  768   2HH1  ARG  64          2HH1      ARG  64 -21.460  -5.015   5.646
  769   1HH2  ARG  64          1HH2      ARG  64 -22.916  -7.026   3.170
  770   2HH2  ARG  64          2HH2      ARG  64 -22.084  -6.998   4.697
  771    H    CYS  65           H        CYS  65 -20.964  -2.029  -1.542
  772    HA   CYS  65           HA       CYS  65 -21.439  -3.599  -3.982
  773   1HB   CYS  65          1HB       CYS  65 -21.209  -0.610  -3.628
  774   2HB   CYS  65          2HB       CYS  65 -21.238  -1.412  -5.193
  775    HG   CYS  65           HG       CYS  65 -23.748  -0.512  -5.077
  776    HA   PRO  66           HA       PRO  66 -16.921  -3.891  -3.478
  777   1HB   PRO  66          1HB       PRO  66 -16.705  -5.854  -5.404
  778   2HB   PRO  66          2HB       PRO  66 -16.988  -6.158  -3.688
  779   1HG   PRO  66          1HG       PRO  66 -18.935  -6.096  -5.949
  780   2HG   PRO  66          2HG       PRO  66 -18.873  -7.183  -4.550
  781   1HD   PRO  66          1HD       PRO  66 -20.612  -5.133  -4.693
  782   2HD   PRO  66          2HD       PRO  66 -19.889  -5.649  -3.155
  783    H    PHE  67           H        PHE  67 -18.721  -3.883  -6.545
  784    HA   PHE  67           HA       PHE  67 -16.629  -2.901  -8.153
  785   1HB   PHE  67          1HB       PHE  67 -18.563  -3.862  -9.215
  786   2HB   PHE  67          2HB       PHE  67 -19.629  -2.679  -8.462
  787    HD1  PHE  67           HD1      PHE  67 -16.615  -2.776 -10.666
  788    HD2  PHE  67           HD2      PHE  67 -20.325  -0.905  -9.742
  789    HE1  PHE  67           HE1      PHE  67 -16.351  -1.297 -12.614
  790    HE2  PHE  67           HE2      PHE  67 -20.065   0.576 -11.688
  791    HZ   PHE  67           HZ       PHE  67 -18.078   0.382 -13.127
  792    H    CYS  68           H        CYS  68 -19.221  -1.241  -6.393
  793    HA   CYS  68           HA       CYS  68 -18.547   1.351  -7.285
  794   1HB   CYS  68          1HB       CYS  68 -19.975   0.581  -4.736
  795   2HB   CYS  68          2HB       CYS  68 -20.040   2.144  -5.549
  796    HG   CYS  68           HG       CYS  68 -21.124   0.805  -7.930
  797    H    ARG  69           H        ARG  69 -17.453  -0.632  -4.627
  798    HA   ARG  69           HA       ARG  69 -15.994   1.377  -3.271
  799   1HB   ARG  69          1HB       ARG  69 -16.566  -0.743  -2.214
  800   2HB   ARG  69          2HB       ARG  69 -15.592  -1.616  -3.387
  801   1HG   ARG  69          1HG       ARG  69 -13.579  -0.595  -2.524
  802   2HG   ARG  69          2HG       ARG  69 -14.532   0.370  -1.392
  803   1HD   ARG  69          1HD       ARG  69 -15.253  -1.585  -0.227
  804   2HD   ARG  69          2HD       ARG  69 -14.545  -2.639  -1.451
  805    HE   ARG  69           HE       ARG  69 -12.442  -1.182  -0.527
  806   1HH1  ARG  69          1HH1      ARG  69 -14.881  -3.173   0.987
  807   2HH1  ARG  69          2HH1      ARG  69 -13.828  -3.737   2.244
  808   1HH2  ARG  69          1HH2      ARG  69 -11.034  -1.928   1.108
  809   2HH2  ARG  69          2HH2      ARG  69 -11.631  -3.009   2.325
  810    H    PHE  70           H        PHE  70 -15.121  -0.986  -5.758
  811    HA   PHE  70           HA       PHE  70 -12.418  -0.229  -6.008
  812   1HB   PHE  70          1HB       PHE  70 -13.221  -2.349  -6.881
  813   2HB   PHE  70          2HB       PHE  70 -14.301  -1.520  -7.995
  814    HD1  PHE  70           HD1      PHE  70 -10.672  -1.653  -7.133
  815    HD2  PHE  70           HD2      PHE  70 -13.630  -1.300 -10.171
  816    HE1  PHE  70           HE1      PHE  70  -8.909  -1.671  -8.847
  817    HE2  PHE  70           HE2      PHE  70 -11.873  -1.317 -11.890
  818    HZ   PHE  70           HZ       PHE  70  -9.508  -1.502 -11.230
  819    H    GLN  71           H        GLN  71 -15.320   0.745  -7.833
  820    HA   GLN  71           HA       GLN  71 -13.880   2.548  -9.491
  821   1HB   GLN  71          1HB       GLN  71 -16.015   3.280 -10.332
  822   2HB   GLN  71          2HB       GLN  71 -16.035   1.537 -10.167
  823   1HG   GLN  71          1HG       GLN  71 -18.106   2.115  -9.385
  824   2HG   GLN  71          2HG       GLN  71 -17.174   1.992  -7.897
  825   1HE2  GLN  71          1HE2      GLN  71 -17.025   4.680 -10.176
  826   2HE2  GLN  71          2HE2      GLN  71 -17.707   5.851  -9.096
  827    H    LYS  72           H        LYS  72 -15.167   2.778  -6.297
  828    HA   LYS  72           HA       LYS  72 -15.228   5.625  -6.144
  829   1HB   LYS  72          1HB       LYS  72 -16.250   3.887  -4.502
  830   2HB   LYS  72          2HB       LYS  72 -14.644   3.842  -3.790
  831   1HG   LYS  72          1HG       LYS  72 -15.605   5.425  -2.468
  832   2HG   LYS  72          2HG       LYS  72 -14.967   6.463  -3.744
  833   1HD   LYS  72          1HD       LYS  72 -17.798   5.427  -3.533
  834   2HD   LYS  72          2HD       LYS  72 -17.260   7.075  -3.204
  835   1HE   LYS  72          1HE       LYS  72 -16.872   7.538  -5.428
  836   2HE   LYS  72          2HE       LYS  72 -16.710   5.838  -5.854
  837   1HZ   LYS  72          1HZ       LYS  72 -18.766   6.686  -6.705
  838   2HZ   LYS  72          2HZ       LYS  72 -19.227   7.269  -5.184
  839   3HZ   LYS  72          3HZ       LYS  72 -19.119   5.599  -5.455
  840    H    CYS  73           H        CYS  73 -12.824   3.140  -5.468
  841    HA   CYS  73           HA       CYS  73 -10.746   4.801  -4.580
  842   1HB   CYS  73          1HB       CYS  73 -10.543   2.234  -6.177
  843   2HB   CYS  73          2HB       CYS  73  -9.258   2.959  -5.216
  844    HG   CYS  73           HG       CYS  73 -12.174   1.631  -4.008
  845    H    LEU  74           H        LEU  74 -11.778   3.831  -7.821
  846    HA   LEU  74           HA       LEU  74  -9.746   5.282  -9.196
  847   1HB   LEU  74          1HB       LEU  74 -12.471   4.421 -10.148
  848   2HB   LEU  74          2HB       LEU  74 -11.164   4.976 -11.172
  849    HG   LEU  74           HG       LEU  74 -11.126   2.476  -9.486
  850   1HD1  LEU  74          1HD1      LEU  74 -12.656   2.313 -11.355
  851   2HD1  LEU  74          2HD1      LEU  74 -11.217   1.331 -11.647
  852   3HD1  LEU  74          3HD1      LEU  74 -11.402   2.891 -12.451
  853   1HD2  LEU  74          1HD2      LEU  74  -9.142   3.547 -11.486
  854   2HD2  LEU  74          2HD2      LEU  74  -9.050   1.984 -10.675
  855   3HD2  LEU  74          3HD2      LEU  74  -8.914   3.473  -9.740
  856    H    THR  75           H        THR  75 -12.984   6.042  -8.080
  857    HA   THR  75           HA       THR  75 -13.395   8.494  -9.335
  858    HB   THR  75           HB       THR  75 -14.300   7.509  -6.623
  859    HG1  THR  75           HG1      THR  75 -15.073   6.424  -8.565
  860   1HG2  THR  75          1HG2      THR  75 -15.301   9.920  -8.141
  861   2HG2  THR  75          2HG2      THR  75 -14.341   9.963  -6.662
  862   3HG2  THR  75          3HG2      THR  75 -15.969   9.283  -6.636
  863    H    VAL  76           H        VAL  76 -11.728   7.728  -6.302
  864    HA   VAL  76           HA       VAL  76 -11.124  10.494  -5.812
  865    HB   VAL  76           HB       VAL  76  -9.845   9.709  -3.878
  866   1HG1  VAL  76          1HG1      VAL  76 -12.252  10.041  -3.675
  867   2HG1  VAL  76          2HG1      VAL  76 -11.715   8.715  -2.645
  868   3HG1  VAL  76          3HG1      VAL  76 -12.537   8.372  -4.168
  869   1HG2  VAL  76          1HG2      VAL  76  -9.713   7.359  -3.307
  870   2HG2  VAL  76          2HG2      VAL  76  -8.964   7.632  -4.881
  871   3HG2  VAL  76          3HG2      VAL  76 -10.575   6.925  -4.782
  872    H    GLY  77           H        GLY  77  -9.702   7.987  -7.673
  873   1HA   GLY  77          1HA       GLY  77  -8.202   8.758  -9.385
  874   2HA   GLY  77          2HA       GLY  77  -7.532   9.898  -8.236
  875    H    MET  78           H        MET  78  -8.044   6.590  -7.234
  876    HA   MET  78           HA       MET  78  -5.237   6.185  -6.879
  877   1HB   MET  78          1HB       MET  78  -7.563   4.258  -6.709
  878   2HB   MET  78          2HB       MET  78  -5.908   3.860  -6.263
  879   1HG   MET  78          1HG       MET  78  -5.946   5.569  -4.533
  880   2HG   MET  78          2HG       MET  78  -7.588   6.012  -4.994
  881   1HE   MET  78          1HE       MET  78  -6.157   2.410  -4.966
  882   2HE   MET  78          2HE       MET  78  -6.530   1.853  -3.333
  883   3HE   MET  78          3HE       MET  78  -5.321   3.114  -3.582
  884    H    ARG  79           H        ARG  79  -3.861   5.714  -8.437
  885    HA   ARG  79           HA       ARG  79  -4.853   5.238 -11.083
  886   1HB   ARG  79          1HB       ARG  79  -2.014   5.463 -10.079
  887   2HB   ARG  79          2HB       ARG  79  -2.499   5.447 -11.768
  888   1HG   ARG  79          1HG       ARG  79  -3.233   7.537  -9.730
  889   2HG   ARG  79          2HG       ARG  79  -2.045   7.705 -11.023
  890   1HD   ARG  79          1HD       ARG  79  -3.806   7.417 -12.688
  891   2HD   ARG  79          2HD       ARG  79  -4.998   7.212 -11.404
  892    HE   ARG  79           HE       ARG  79  -3.573   9.668 -11.146
  893   1HH1  ARG  79          1HH1      ARG  79  -6.165   8.125 -12.943
  894   2HH1  ARG  79          2HH1      ARG  79  -7.007   9.618 -13.251
  895   1HH2  ARG  79          1HH2      ARG  79  -4.685  11.619 -11.522
  896   2HH2  ARG  79          2HH2      ARG  79  -6.159  11.608 -12.454
  897    H    LEU  80           H        LEU  80  -4.432   3.551 -12.449
  898    HA   LEU  80           HA       LEU  80  -4.218   0.955 -11.236
  899   1HB   LEU  80          1HB       LEU  80  -4.377   1.835 -14.123
  900   2HB   LEU  80          2HB       LEU  80  -4.306   0.158 -13.632
  901    HG   LEU  80           HG       LEU  80  -6.571   0.647 -14.128
  902   1HD1  LEU  80          1HD1      LEU  80  -7.702   0.286 -11.979
  903   2HD1  LEU  80          2HD1      LEU  80  -6.192   0.656 -11.144
  904   3HD1  LEU  80          3HD1      LEU  80  -6.295  -0.757 -12.195
  905   1HD2  LEU  80          1HD2      LEU  80  -7.838   2.452 -13.114
  906   2HD2  LEU  80          2HD2      LEU  80  -6.454   3.086 -14.004
  907   3HD2  LEU  80          3HD2      LEU  80  -6.403   2.993 -12.243
  908    H    GLU  81           H        GLU  81  -2.056   3.242 -12.467
  909    HA   GLU  81           HA       GLU  81  -0.002   1.434 -13.343
  910   1HB   GLU  81          1HB       GLU  81   0.172   4.376 -12.677
  911   2HB   GLU  81          2HB       GLU  81   1.370   3.441 -13.561
  912   1HG   GLU  81          1HG       GLU  81  -0.349   3.005 -15.296
  913   2HG   GLU  81          2HG       GLU  81  -1.422   4.110 -14.441
  914    H    ALA  82           H        ALA  82  -1.176   2.059 -10.387
  915    HA   ALA  82           HA       ALA  82   1.452   1.903  -9.079
  916   1HB   ALA  82          1HB       ALA  82   0.402   2.841  -7.102
  917   2HB   ALA  82          2HB       ALA  82  -1.159   2.860  -7.922
  918   3HB   ALA  82          3HB       ALA  82   0.152   3.890  -8.498
  919    H    VAL  83           H        VAL  83  -0.934  -0.074 -10.055
  920    HA   VAL  83           HA       VAL  83  -0.562  -1.857  -7.741
  921    HB   VAL  83           HB       VAL  83  -2.926  -1.334  -7.985
  922   1HG1  VAL  83          1HG1      VAL  83  -2.995  -0.692 -10.301
  923   2HG1  VAL  83          2HG1      VAL  83  -4.184  -1.955  -9.975
  924   3HG1  VAL  83          3HG1      VAL  83  -2.673  -2.355 -10.791
  925   1HG2  VAL  83          1HG2      VAL  83  -2.304  -4.122  -8.925
  926   2HG2  VAL  83          2HG2      VAL  83  -3.828  -3.592  -8.214
  927   3HG2  VAL  83          3HG2      VAL  83  -2.352  -3.573  -7.250
  928    H    ARG  84           H        ARG  84   0.468  -3.712  -8.074
  929    HA   ARG  84           HA       ARG  84   0.676  -4.769 -10.800
  930   1HB   ARG  84          1HB       ARG  84   2.968  -4.201  -8.924
  931   2HB   ARG  84          2HB       ARG  84   3.104  -5.309 -10.280
  932   1HG   ARG  84          1HG       ARG  84   2.586  -3.493 -11.823
  933   2HG   ARG  84          2HG       ARG  84   2.441  -2.378 -10.461
  934   1HD   ARG  84          1HD       ARG  84   4.751  -2.674  -9.896
  935   2HD   ARG  84          2HD       ARG  84   4.928  -3.958 -11.091
  936    HE   ARG  84           HE       ARG  84   4.106  -1.760 -12.519
  937   1HH1  ARG  84          1HH1      ARG  84   6.776  -2.454 -10.364
  938   2HH1  ARG  84          2HH1      ARG  84   7.896  -1.428 -11.208
  939   1HH2  ARG  84          1HH2      ARG  84   5.556  -0.418 -13.626
  940   2HH2  ARG  84          2HH2      ARG  84   7.191  -0.243 -13.054
  941    H    ALA  85           H        ALA  85   0.288  -6.895 -10.883
  942    HA   ALA  85           HA       ALA  85   0.420  -8.537  -8.487
  943   1HB   ALA  85          1HB       ALA  85  -0.105  -9.304 -11.364
  944   2HB   ALA  85          2HB       ALA  85  -1.332  -8.972 -10.141
  945   3HB   ALA  85          3HB       ALA  85  -0.269 -10.369  -9.967
  946    H    ASP  86           H        ASP  86   2.595  -7.173 -10.342
  947    HA   ASP  86           HA       ASP  86   4.351  -9.128 -11.291
  948   1HB   ASP  86          1HB       ASP  86   4.381  -6.773 -11.990
  949   2HB   ASP  86          2HB       ASP  86   4.924  -6.299 -10.386
  950    H    ARG  87           H        ARG  87   3.724  -8.124  -8.097
  951    HA   ARG  87           HA       ARG  87   4.421  -9.013  -6.119
  952   1HB   ARG  87          1HB       ARG  87   5.029 -11.085  -7.330
  953   2HB   ARG  87          2HB       ARG  87   6.609 -10.403  -7.676
  954   1HG   ARG  87          1HG       ARG  87   6.761 -11.950  -5.840
  955   2HG   ARG  87          2HG       ARG  87   7.072 -10.312  -5.262
  956   1HD   ARG  87          1HD       ARG  87   5.614 -11.619  -3.751
  957   2HD   ARG  87          2HD       ARG  87   4.849 -10.152  -4.363
  958    HE   ARG  87           HE       ARG  87   3.679 -11.631  -5.986
  959   1HH1  ARG  87          1HH1      ARG  87   4.981 -13.023  -3.042
  960   2HH1  ARG  87          2HH1      ARG  87   3.789 -14.288  -2.976
  961   1HH2  ARG  87          1HH2      ARG  87   2.126 -13.273  -5.896
  962   2HH2  ARG  87          2HH2      ARG  87   2.151 -14.426  -4.586
  963    H    MET  88           H        MET  88   6.401  -7.218  -8.244
  964    HA   MET  88           HA       MET  88   8.478  -6.523  -6.454
  965   1HB   MET  88          1HB       MET  88   8.733  -6.052  -8.807
  966   2HB   MET  88          2HB       MET  88   7.304  -5.028  -8.804
  967   1HG   MET  88          1HG       MET  88   9.315  -3.688  -8.855
  968   2HG   MET  88          2HG       MET  88   8.443  -3.435  -7.345
  969   1HE   MET  88          1HE       MET  88  12.351  -5.846  -7.785
  970   2HE   MET  88          2HE       MET  88  11.608  -4.903  -9.077
  971   3HE   MET  88          3HE       MET  88  10.827  -6.375  -8.498
  972    H    ARG  89           H        ARG  89   8.253  -5.548  -4.580
  973    HA   ARG  89           HA       ARG  89   5.858  -4.096  -3.908
  974   1HB   ARG  89          1HB       ARG  89   8.353  -4.737  -2.335
  975   2HB   ARG  89          2HB       ARG  89   6.980  -3.860  -1.673
  976   1HG   ARG  89          1HG       ARG  89   5.546  -5.800  -2.104
  977   2HG   ARG  89          2HG       ARG  89   6.943  -6.679  -2.730
  978   1HD   ARG  89          1HD       ARG  89   8.026  -6.594  -0.590
  979   2HD   ARG  89          2HD       ARG  89   6.772  -5.534   0.052
  980    HE   ARG  89           HE       ARG  89   5.236  -7.506  -0.382
  981   1HH1  ARG  89          1HH1      ARG  89   8.625  -7.858   0.407
  982   2HH1  ARG  89          2HH1      ARG  89   8.429  -9.437   1.109
  983   1HH2  ARG  89          1HH2      ARG  89   4.968  -9.564   0.567
  984   2HH2  ARG  89          2HH2      ARG  89   6.347 -10.403   1.206
  985    H    GLY  90           H        GLY  90   6.682  -2.623  -5.824
  986   1HA   GLY  90          1HA       GLY  90   6.830  -0.081  -5.214
  987   2HA   GLY  90          2HA       GLY  90   8.484  -0.542  -4.833
  988    H    GLY  91           H        GLY  91   9.714   0.283  -6.382
  989   1HA   GLY  91          1HA       GLY  91  10.642   0.572  -8.468
  990   2HA   GLY  91          2HA       GLY  91   9.571  -0.697  -9.050
  991    H    ARG  92           H        ARG  92   9.716   2.755  -8.255
  992    HA   ARG  92           HA       ARG  92   7.776   3.272 -10.360
  993   1HB   ARG  92          1HB       ARG  92   6.573   2.800  -8.159
  994   2HB   ARG  92          2HB       ARG  92   7.258   4.312  -7.584
  995   1HG   ARG  92          1HG       ARG  92   5.996   5.588  -9.059
  996   2HG   ARG  92          2HG       ARG  92   5.652   4.207 -10.106
  997   1HD   ARG  92          1HD       ARG  92   4.599   4.662  -7.314
  998   2HD   ARG  92          2HD       ARG  92   3.678   4.763  -8.818
  999    HE   ARG  92           HE       ARG  92   4.628   2.260  -8.919
 1000   1HH1  ARG  92          1HH1      ARG  92   2.923   4.022  -6.426
 1001   2HH1  ARG  92          2HH1      ARG  92   2.271   2.596  -5.689
 1002   1HH2  ARG  92          1HH2      ARG  92   3.769   0.380  -7.960
 1003   2HH2  ARG  92          2HH2      ARG  92   2.750   0.511  -6.562
 1004    H    ASN  93           H        ASN  93   8.759   4.751 -11.529
 1005    HA   ASN  93           HA       ASN  93  10.447   6.750 -10.189
 1006   1HB   ASN  93          1HB       ASN  93  11.573   5.354 -11.879
 1007   2HB   ASN  93          2HB       ASN  93  10.414   5.887 -13.092
 1008   1HD2  ASN  93          1HD2      ASN  93  10.587   7.951 -13.958
 1009   2HD2  ASN  93          2HD2      ASN  93  11.985   8.947 -13.710
 1010    H    LYS  94           H        LYS  94   7.954   6.412 -12.704
 1011    HA   LYS  94           HA       LYS  94   7.832   9.225 -13.179
 1012   1HB   LYS  94          1HB       LYS  94   5.796   8.686 -14.527
 1013   2HB   LYS  94          2HB       LYS  94   7.247   7.821 -15.001
 1014   1HG   LYS  94          1HG       LYS  94   6.426   5.838 -13.784
 1015   2HG   LYS  94          2HG       LYS  94   4.944   6.720 -13.403
 1016   1HD   LYS  94          1HD       LYS  94   4.265   6.776 -15.639
 1017   2HD   LYS  94          2HD       LYS  94   5.887   6.419 -16.234
 1018   1HE   LYS  94          1HE       LYS  94   4.542   4.464 -16.520
 1019   2HE   LYS  94          2HE       LYS  94   5.691   4.154 -15.222
 1020   1HZ   LYS  94          1HZ       LYS  94   2.813   4.831 -14.928
 1021   2HZ   LYS  94          2HZ       LYS  94   3.901   4.677 -13.635
 1022   3HZ   LYS  94          3HZ       LYS  94   3.547   3.336 -14.604
 1023    H    PHE  95           H        PHE  95   6.410   7.198 -10.828
 1024    HA   PHE  95           HA       PHE  95   4.715   9.463 -10.006
 1025   1HB   PHE  95          1HB       PHE  95   4.305   6.505  -9.563
 1026   2HB   PHE  95          2HB       PHE  95   3.430   7.733  -8.658
 1027    HD1  PHE  95           HD1      PHE  95   3.769   6.013 -11.836
 1028    HD2  PHE  95           HD2      PHE  95   1.813   9.186  -9.784
 1029    HE1  PHE  95           HE1      PHE  95   2.091   6.135 -13.630
 1030    HE2  PHE  95           HE2      PHE  95   0.132   9.314 -11.574
 1031    HZ   PHE  95           HZ       PHE  95   0.268   7.786 -13.500
 1032    H    GLY  96           H        GLY  96   7.575   8.103  -9.438
 1033   1HA   GLY  96          1HA       GLY  96   7.708   7.554  -6.701
 1034   2HA   GLY  96          2HA       GLY  96   9.056   8.079  -7.696
 1035    HA   PRO  97           HA       PRO  97   9.157  12.067  -5.891
 1036   1HB   PRO  97          1HB       PRO  97   8.670  13.938  -7.804
 1037   2HB   PRO  97          2HB       PRO  97  10.172  13.014  -7.704
 1038   1HG   PRO  97          1HG       PRO  97   7.784  12.563  -9.450
 1039   2HG   PRO  97          2HG       PRO  97   9.507  12.474  -9.863
 1040   1HD   PRO  97          1HD       PRO  97   8.031  10.271  -9.384
 1041   2HD   PRO  97          2HD       PRO  97   9.749  10.372  -8.948
 1042    H    MET  98           H        MET  98   6.149  11.565  -7.680
 1043    HA   MET  98           HA       MET  98   4.932  13.946  -6.718
 1044   1HB   MET  98          1HB       MET  98   2.859  13.147  -7.704
 1045   2HB   MET  98          2HB       MET  98   4.203  12.955  -8.811
 1046   1HG   MET  98          1HG       MET  98   2.990  11.031  -9.084
 1047   2HG   MET  98          2HG       MET  98   4.298  10.560  -8.010
 1048   1HE   MET  98          1HE       MET  98   1.039  12.599  -7.137
 1049   2HE   MET  98          2HE       MET  98  -0.045  11.303  -6.632
 1050   3HE   MET  98          3HE       MET  98   0.484  11.406  -8.312
 1051    H    TYR  99           H        TYR  99   5.034  10.653  -5.483
 1052    HA   TYR  99           HA       TYR  99   3.098  10.997  -3.462
 1053   1HB   TYR  99          1HB       TYR  99   5.543   9.228  -3.615
 1054   2HB   TYR  99          2HB       TYR  99   4.344   9.135  -2.349
 1055    HD1  TYR  99           HD1      TYR  99   5.415   7.569  -5.161
 1056    HD2  TYR  99           HD2      TYR  99   1.799   9.024  -3.457
 1057    HE1  TYR  99           HE1      TYR  99   4.142   5.969  -6.517
 1058    HE2  TYR  99           HE2      TYR  99   0.513   7.425  -4.817
 1059    HH   TYR  99           HH       TYR  99   0.797   6.159  -6.934
 1060    H    LYS 100           H        LYS 100   6.609  11.342  -3.532
 1061    HA   LYS 100           HA       LYS 100   6.987  12.085  -0.847
 1062   1HB   LYS 100          1HB       LYS 100   8.724  13.009  -3.138
 1063   2HB   LYS 100          2HB       LYS 100   9.203  12.694  -1.479
 1064   1HG   LYS 100          1HG       LYS 100   8.328  10.597  -3.461
 1065   2HG   LYS 100          2HG       LYS 100   9.994  10.976  -3.037
 1066   1HD   LYS 100          1HD       LYS 100   9.664  10.252  -0.791
 1067   2HD   LYS 100          2HD       LYS 100   7.930  10.055  -1.052
 1068   1HE   LYS 100          1HE       LYS 100   9.069   7.897  -1.091
 1069   2HE   LYS 100          2HE       LYS 100   8.375   8.272  -2.666
 1070   1HZ   LYS 100          1HZ       LYS 100  10.572   8.968  -3.419
 1071   2HZ   LYS 100          2HZ       LYS 100  10.599   7.364  -2.887
 1072   3HZ   LYS 100          3HZ       LYS 100  11.231   8.589  -1.908
 1073    H    ARG 101           H        ARG 101   6.512  13.944  -3.790
 1074    HA   ARG 101           HA       ARG 101   6.812  16.538  -2.824
 1075   1HB   ARG 101          1HB       ARG 101   6.632  15.888  -5.206
 1076   2HB   ARG 101          2HB       ARG 101   4.931  15.528  -4.962
 1077   1HG   ARG 101          1HG       ARG 101   4.538  17.894  -4.401
 1078   2HG   ARG 101          2HG       ARG 101   6.238  18.230  -4.754
 1079   1HD   ARG 101          1HD       ARG 101   4.138  17.201  -6.656
 1080   2HD   ARG 101          2HD       ARG 101   4.952  18.766  -6.705
 1081    HE   ARG 101           HE       ARG 101   7.054  17.287  -6.992
 1082   1HH1  ARG 101          1HH1      ARG 101   3.880  16.607  -8.337
 1083   2HH1  ARG 101          2HH1      ARG 101   4.514  15.677  -9.667
 1084   1HH2  ARG 101          1HH2      ARG 101   7.873  16.071  -8.734
 1085   2HH2  ARG 101          2HH2      ARG 101   6.774  15.398  -9.908
 1086    H    ASP 102           H        ASP 102   3.848  14.614  -3.205
 1087    HA   ASP 102           HA       ASP 102   2.098  16.600  -2.258
 1088   1HB   ASP 102          1HB       ASP 102   1.773  14.179  -3.454
 1089   2HB   ASP 102          2HB       ASP 102   1.291  13.798  -1.804
 1090    H    ARG 103           H        ARG 103   3.906  14.070  -0.637
 1091    HA   ARG 103           HA       ARG 103   2.694  14.303   1.905
 1092   1HB   ARG 103          1HB       ARG 103   4.153  12.412   1.236
 1093   2HB   ARG 103          2HB       ARG 103   5.537  13.496   1.247
 1094   1HG   ARG 103          1HG       ARG 103   5.495  12.199   3.277
 1095   2HG   ARG 103          2HG       ARG 103   5.179  13.894   3.650
 1096   1HD   ARG 103          1HD       ARG 103   2.750  13.378   3.666
 1097   2HD   ARG 103          2HD       ARG 103   3.148  11.676   3.440
 1098    HE   ARG 103           HE       ARG 103   4.503  12.766   5.699
 1099   1HH1  ARG 103          1HH1      ARG 103   1.393  11.561   4.625
 1100   2HH1  ARG 103          2HH1      ARG 103   0.846  11.140   6.223
 1101   1HH2  ARG 103          1HH2      ARG 103   3.796  12.199   7.802
 1102   2HH2  ARG 103          2HH2      ARG 103   2.222  11.500   8.018
 1103    H    ALA 104           H        ALA 104   5.516  15.879   0.452
 1104    HA   ALA 104           HA       ALA 104   6.221  17.413   2.724
 1105   1HB   ALA 104          1HB       ALA 104   7.774  16.974   0.883
 1106   2HB   ALA 104          2HB       ALA 104   7.606  18.703   1.188
 1107   3HB   ALA 104          3HB       ALA 104   6.784  17.966  -0.188
 1108    H    LEU 105           H        LEU 105   4.138  18.026  -0.050
 1109    HA   LEU 105           HA       LEU 105   3.618  20.750   0.485
 1110   1HB   LEU 105          1HB       LEU 105   1.919  18.723  -0.971
 1111   2HB   LEU 105          2HB       LEU 105   1.691  20.461  -1.025
 1112    HG   LEU 105           HG       LEU 105   4.116  18.983  -2.047
 1113   1HD1  LEU 105          1HD1      LEU 105   1.862  20.323  -3.532
 1114   2HD1  LEU 105          2HD1      LEU 105   2.151  18.585  -3.425
 1115   3HD1  LEU 105          3HD1      LEU 105   3.308  19.622  -4.259
 1116   1HD2  LEU 105          1HD2      LEU 105   3.378  21.900  -2.224
 1117   2HD2  LEU 105          2HD2      LEU 105   4.788  21.136  -2.959
 1118   3HD2  LEU 105          3HD2      LEU 105   4.642  21.214  -1.202
 1119    H    LYS 106           H        LYS 106   2.151  17.781   1.611
 1120    HA   LYS 106           HA       LYS 106  -0.190  18.936   2.723
 1121   1HB   LYS 106          1HB       LYS 106   0.060  16.527   2.190
 1122   2HB   LYS 106          2HB       LYS 106   1.210  16.375   3.510
 1123   1HG   LYS 106          1HG       LYS 106  -0.481  16.866   5.128
 1124   2HG   LYS 106          2HG       LYS 106  -1.644  17.259   3.860
 1125   1HD   LYS 106          1HD       LYS 106  -1.527  14.938   3.058
 1126   2HD   LYS 106          2HD       LYS 106  -0.402  14.555   4.362
 1127   1HE   LYS 106          1HE       LYS 106  -3.184  15.626   4.798
 1128   2HE   LYS 106          2HE       LYS 106  -2.784  13.909   4.796
 1129   1HZ   LYS 106          1HZ       LYS 106  -1.383  14.203   6.681
 1130   2HZ   LYS 106          2HZ       LYS 106  -2.867  14.946   7.037
 1131   3HZ   LYS 106          3HZ       LYS 106  -1.529  15.895   6.615
 1132    H    GLN 107           H        GLN 107   3.073  18.589   3.831
 1133    HA   GLN 107           HA       GLN 107   2.342  19.399   6.552
 1134   1HB   GLN 107          1HB       GLN 107   4.978  18.437   5.426
 1135   2HB   GLN 107          2HB       GLN 107   4.685  18.840   7.111
 1136   1HG   GLN 107          1HG       GLN 107   3.348  16.628   5.569
 1137   2HG   GLN 107          2HG       GLN 107   4.653  16.437   6.738
 1138   1HE2  GLN 107          1HE2      GLN 107   4.227  16.771   8.932
 1139   2HE2  GLN 107          2HE2      GLN 107   2.610  16.734   9.556
 1140    H    GLN 108           H        GLN 108   2.714  21.003   3.868
 1141    HA   GLN 108           HA       GLN 108   4.763  22.884   4.755
 1142   1HB   GLN 108          1HB       GLN 108   4.812  22.063   2.421
 1143   2HB   GLN 108          2HB       GLN 108   3.232  22.785   2.152
 1144   1HG   GLN 108          1HG       GLN 108   4.136  24.992   2.514
 1145   2HG   GLN 108          2HG       GLN 108   5.712  24.310   2.913
 1146   1HE2  GLN 108          1HE2      GLN 108   4.974  26.192   0.820
 1147   2HE2  GLN 108          2HE2      GLN 108   5.461  25.460  -0.673
 1148    H    LYS 109           H        LYS 109   4.251  24.646   5.804
 1149    HA   LYS 109           HA       LYS 109   1.468  25.519   5.939
 1150   1HB   LYS 109          1HB       LYS 109   3.930  26.362   7.482
 1151   2HB   LYS 109          2HB       LYS 109   2.328  27.037   7.734
 1152   1HG   LYS 109          1HG       LYS 109   3.053  24.140   8.102
 1153   2HG   LYS 109          2HG       LYS 109   2.929  25.333   9.398
 1154   1HD   LYS 109          1HD       LYS 109   0.564  25.720   8.724
 1155   2HD   LYS 109          2HD       LYS 109   0.722  24.392   7.572
 1156   1HE   LYS 109          1HE       LYS 109   1.240  22.862   9.400
 1157   2HE   LYS 109          2HE       LYS 109   1.107  24.187  10.555
 1158   1HZ   LYS 109          1HZ       LYS 109  -1.058  23.020   8.896
 1159   2HZ   LYS 109          2HZ       LYS 109  -1.229  24.461   9.781
 1160   3HZ   LYS 109          3HZ       LYS 109  -0.922  23.003  10.590
 1161    H    LYS 110           H        LYS 110   4.650  26.645   4.957
 1162    HA   LYS 110           HA       LYS 110   3.655  29.284   4.293
 1163   1HB   LYS 110          1HB       LYS 110   6.382  28.057   3.852
 1164   2HB   LYS 110          2HB       LYS 110   5.972  29.751   3.625
 1165   1HG   LYS 110          1HG       LYS 110   5.451  29.939   6.009
 1166   2HG   LYS 110          2HG       LYS 110   5.887  28.243   6.229
 1167   1HD   LYS 110          1HD       LYS 110   8.161  28.733   5.464
 1168   2HD   LYS 110          2HD       LYS 110   7.722  30.429   5.253
 1169   1HE   LYS 110          1HE       LYS 110   7.727  28.889   7.847
 1170   2HE   LYS 110          2HE       LYS 110   8.905  30.104   7.351
 1171   1HZ   LYS 110          1HZ       LYS 110   7.373  31.145   8.806
 1172   2HZ   LYS 110          2HZ       LYS 110   6.035  30.523   7.973
 1173   3HZ   LYS 110          3HZ       LYS 110   7.010  31.705   7.245
 1174    H    ALA 111           H        ALA 111   2.250  29.099   2.613
 1175    HA   ALA 111           HA       ALA 111   3.117  27.762   0.172
 1176   1HB   ALA 111          1HB       ALA 111   0.811  27.420   0.936
 1177   2HB   ALA 111          2HB       ALA 111   0.861  28.205  -0.643
 1178   3HB   ALA 111          3HB       ALA 111   0.512  29.153   0.803
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  29.165   4.822  -0.341
    2   2H5*    G   1          2H5*        G   1  29.477   3.396   0.667
    3    H4*    G   1           H4*        G   1  28.787   5.017   2.164
    4    H3*    G   1           H3*        G   1  27.248   2.788   2.056
    5    H1*    G   1           H1*        G   1  25.709   6.299   2.222
    6    H8     G   1           H8         G   1  25.689   5.063  -1.460
    7    H1     G   1           H1         G   1  21.549   9.748  -0.004
    8   1H2     G   1          1H2         G   1  21.699  10.241   2.145
    9   2H2     G   1          2H2         G   1  22.821   9.425   3.212
   10    H5T    G   1           H5T        G   1  26.916   3.733  -0.420
   11   1H2*    G   1          1H2*        G   1  25.486   3.665   0.685
   12   2H2*    G   1          2H2*        G   1  24.865   4.043   2.287
   13   1H5*    G   2          1H5*        G   2  25.602   7.007   5.109
   14   2H5*    G   2          2H5*        G   2  25.810   5.736   6.334
   15    H4*    G   2           H4*        G   2  24.027   7.209   6.981
   16    H3*    G   2           H3*        G   2  23.731   4.565   7.160
   17    H1*    G   2           H1*        G   2  20.968   6.608   5.352
   18    H8     G   2           H8         G   2  23.116   4.487   2.966
   19    H1     G   2           H1         G   2  18.647   8.149   0.167
   20   1H2     G   2          1H2         G   2  17.689   9.451   1.668
   21   2H2     G   2          2H2         G   2  18.147   9.421   3.357
   22   1H2*    G   2          1H2*        G   2  22.756   4.166   4.997
   23   2H2*    G   2          2H2*        G   2  21.314   4.331   5.987
   24   1H5*    C   3          1H5*        C   3  20.658   7.351   8.562
   25   2H5*    C   3          2H5*        C   3  19.700   7.073  10.032
   26    H4*    C   3           H4*        C   3  18.409   8.391   8.540
   27    H3*    C   3           H3*        C   3  17.375   6.071   9.572
   28    H1*    C   3           H1*        C   3  16.890   7.200   5.916
   29   1H4     C   3          1H4         C   3  18.827   3.508   1.150
   30   2H4     C   3          2H4         C   3  19.919   2.621   2.188
   31    H5     C   3           H5         C   3  20.167   3.094   4.549
   32    H6     C   3           H6         C   3  19.411   4.501   6.390
   33   1H2*    C   3          1H2*        C   3  17.487   4.726   7.611
   34   2H2*    C   3          2H2*        C   3  15.937   5.505   7.328
   35   1H5*    T   4          1H5*        T   4  15.148   8.799   6.857
   36   2H5*    T   4          2H5*        T   4  13.938   9.569   7.904
   37    H4*    T   4           H4*        T   4  13.166  10.000   5.770
   38    H3*    T   4           H3*        T   4  11.514   8.500   7.307
   39   1H2*    T   4          1H2*        T   4  12.026   6.350   6.396
   40   2H2*    T   4          2H2*        T   4  10.713   6.830   5.329
   41    H1*    T   4           H1*        T   4  12.206   7.598   3.612
   42    H3     T   4           H3         T   4  13.779   3.906   1.682
   43   1H5M    T   4          1H5M        T   4  16.093   4.014   6.440
   44   2H5M    T   4          2H5M        T   4  14.762   2.842   6.585
   45   3H5M    T   4          3H5M        T   4  16.070   2.561   5.412
   46    H6     T   4           H6         T   4  14.143   5.654   6.106
   47   1H5*    C   5          1H5*        C   5   9.704  10.777   3.719
   48   2H5*    C   5          2H5*        C   5   7.965  11.134   3.736
   49    H4*    C   5           H4*        C   5   8.831  10.535   1.510
   50    H3*    C   5           H3*        C   5   6.413   9.786   2.472
   51    H1*    C   5           H1*        C   5   8.750   7.268   0.722
   52   1H4     C   5          1H4         C   5  11.114   2.289   3.825
   53   2H4     C   5          2H4         C   5  10.793   3.015   5.384
   54    H5     C   5           H5         C   5   9.740   5.183   5.634
   55    H6     C   5           H6         C   5   8.827   7.105   4.442
   56   1H2*    C   5          1H2*        C   5   6.990   7.578   3.199
   57   2H2*    C   5          2H2*        C   5   6.495   7.244   1.545
   58   1H5*    A   6          1H5*        A   6   7.320   7.354  -1.398
   59   2H5*    A   6          2H5*        A   6   6.160   8.099  -2.518
   60    H4*    A   6           H4*        A   6   6.013   6.001  -3.287
   61    H3*    A   6           H3*        A   6   3.800   6.515  -1.793
   62    H1*    A   6           H1*        A   6   5.717   3.209  -1.579
   63    H8     A   6           H8         A   6   6.316   5.335   1.619
   64   1H6     A   6          1H6         A   6   8.950   0.214   3.885
   65   2H6     A   6          2H6         A   6   8.497   1.871   4.224
   66    H2     A   6           H2         A   6   7.701  -0.618  -0.347
   67   1H2*    A   6          1H2*        A   6   4.485   5.373   0.204
   68   2H2*    A   6          2H2*        A   6   3.659   4.072  -0.645
   69   1H5*    G   7          1H5*        G   7   3.610   3.191  -5.164
   70   2H5*    G   7          2H5*        G   7   1.941   2.694  -5.517
   71    H4*    G   7           H4*        G   7   3.747   0.965  -5.855
   72    H3*    G   7           H3*        G   7   1.150   0.548  -5.186
   73    H1*    G   7           H1*        G   7   4.051  -1.155  -3.237
   74    H8     G   7           H8         G   7   2.907   2.074  -1.440
   75    H1     G   7           H1         G   7   5.630  -2.392   2.288
   76   1H2     G   7          1H2         G   7   6.086  -4.191   1.103
   77   2H2     G   7          2H2         G   7   5.710  -4.302  -0.602
   78   1H2*    G   7          1H2*        G   7   1.401   0.300  -2.829
   79   2H2*    G   7          2H2*        G   7   1.674  -1.365  -3.323
   80   1H5*    G   8          1H5*        G   8   3.974  -2.916  -3.681
   81   2H5*    G   8          2H5*        G   8   3.950  -3.106  -5.446
   82    H4*    G   8           H4*        G   8   4.633  -5.178  -4.981
   83    H3*    G   8           H3*        G   8   2.079  -5.395  -5.630
   84    H1*    G   8           H1*        G   8   3.055  -6.787  -2.008
   85    H8     G   8           H8         G   8   0.973  -3.612  -2.277
   86    H1     G   8           H1         G   8   3.493  -4.730   3.519
   87   1H2     G   8          1H2         G   8   4.926  -6.408   3.402
   88   2H2     G   8          2H2         G   8   5.256  -7.249   1.902
   89   1H2*    G   8          1H2*        G   8   1.032  -5.141  -3.508
   90   2H2*    G   8          2H2*        G   8   1.259  -6.884  -3.489
   91   1H5*    G   9          1H5*        G   9   4.198  -8.080  -3.455
   92   2H5*    G   9          2H5*        G   9   4.680  -9.659  -4.107
   93    H4*    G   9           H4*        G   9   5.028  -9.998  -1.894
   94    H3*    G   9           H3*        G   9   2.710 -11.296  -2.818
   95    H1*    G   9           H1*        G   9   3.314  -9.635   0.645
   96    H8     G   9           H8         G   9   0.643  -7.863  -1.539
   97    H1     G   9           H1         G   9   0.689  -6.258   4.678
   98   1H2     G   9          1H2         G   9   2.254  -7.382   5.740
   99   2H2     G   9          2H2         G   9   3.296  -8.530   4.930
  100   1H2*    G   9          1H2*        G   9   1.137 -10.288  -1.392
  101   2H2*    G   9          2H2*        G   9   1.857 -11.327  -0.170
  102   1H5*    C  10          1H5*        C  10   4.236 -11.628   1.256
  103   2H5*    C  10          2H5*        C  10   4.713 -13.299   1.622
  104    H4*    C  10           H4*        C  10   4.118 -12.408   3.676
  105    H3*    C  10           H3*        C  10   2.613 -14.528   2.803
  106    H1*    C  10           H1*        C  10   1.188 -11.471   4.616
  107   1H4     C  10          1H4         C  10  -3.182  -7.724   2.014
  108   2H4     C  10          2H4         C  10  -2.998  -8.466   0.439
  109    H5     C  10           H5         C  10  -1.400 -10.246   0.005
  110    H6     C  10           H6         C  10   0.319 -11.666   0.999
  111   1H2*    C  10          1H2*        C  10   0.630 -13.319   2.241
  112   2H2*    C  10          2H2*        C  10   0.319 -13.625   3.945
  113   1H5*    C  11          1H5*        C  11   2.238 -12.977   6.933
  114   2H5*    C  11          2H5*        C  11   2.653 -14.196   8.156
  115    H4*    C  11           H4*        C  11   1.281 -12.825   9.344
  116    H3*    C  11           H3*        C  11   0.058 -15.267   8.667
  117    H1*    C  11           H1*        C  11  -1.681 -11.716   8.741
  118   1H4     C  11          1H4         C  11  -4.692 -10.301   3.346
  119   2H4     C  11          2H4         C  11  -3.928 -11.624   2.494
  120    H5     C  11           H5         C  11  -2.337 -13.123   3.545
  121    H6     C  11           H6         C  11  -1.173 -13.655   5.617
  122   1H2*    C  11          1H2*        C  11  -1.841 -14.496   7.552
  123   2H2*    C  11          2H2*        C  11  -2.361 -13.916   9.129
  124   1H5*    A  12          1H5*        A  12  -1.425 -12.467  11.229
  125   2H5*    A  12          2H5*        A  12  -1.409 -12.728  12.986
  126    H4*    A  12           H4*        A  12  -3.046 -11.186  12.868
  127    H3*    A  12           H3*        A  12  -4.110 -13.698  13.313
  128    H1*    A  12           H1*        A  12  -5.641 -10.981  11.048
  129    H8     A  12           H8         A  12  -4.051 -13.817   8.924
  130   1H6     A  12          1H6         A  12  -7.617 -11.699   4.332
  131   2H6     A  12          2H6         A  12  -6.403 -12.875   4.788
  132    H2     A  12           H2         A  12  -8.451  -9.234   7.991
  133   1H2*    A  12          1H2*        A  12  -5.168 -14.001  11.208
  134   2H2*    A  12          2H2*        A  12  -6.421 -13.055  11.999
  135   1H5*    C  13          1H5*        C  13  -6.581 -10.306  12.974
  136   2H5*    C  13          2H5*        C  13  -7.060  -9.697  14.572
  137    H4*    C  13           H4*        C  13  -8.680  -8.732  13.352
  138    H3*    C  13           H3*        C  13  -9.727 -10.829  14.735
  139    H1*    C  13           H1*        C  13 -10.618 -10.093  11.084
  140   1H4     C  13          1H4         C  13  -9.462 -14.197   6.421
  141   2H4     C  13          2H4         C  13  -8.298 -15.087   7.380
  142    H5     C  13           H5         C  13  -7.736 -14.473   9.665
  143    H6     C  13           H6         C  13  -8.184 -12.893  11.470
  144   1H2*    C  13          1H2*        C  13  -9.820 -12.402  12.929
  145   2H2*    C  13          2H2*        C  13 -11.398 -11.643  12.770
  146   1H5*    A  14          1H5*        A  14 -12.112  -8.304  12.191
  147   2H5*    A  14          2H5*        A  14 -12.903  -7.098  13.226
  148    H4*    A  14           H4*        A  14 -14.149  -6.801  11.381
  149    H3*    A  14           H3*        A  14 -15.631  -8.084  13.205
  150    H1*    A  14           H1*        A  14 -15.467  -9.545   9.566
  151    H8     A  14           H8         A  14 -13.246 -11.361  12.178
  152   1H6     A  14          1H6         A  14 -12.397 -15.599   7.746
  153   2H6     A  14          2H6         A  14 -12.050 -15.165   9.405
  154    H2     A  14           H2         A  14 -14.957 -12.316   6.064
  155   1H2*    A  14          1H2*        A  14 -15.294 -10.337  12.495
  156   2H2*    A  14          2H2*        A  14 -16.715  -9.934  11.541
  157   1H5*    G  15          1H5*        G  15 -17.299  -6.576   9.450
  158   2H5*    G  15          2H5*        G  15 -18.874  -5.755   9.429
  159    H4*    G  15           H4*        G  15 -18.507  -6.666   7.277
  160    H3*    G  15           H3*        G  15 -20.818  -7.212   8.544
  161    H1*    G  15           H1*        G  15 -18.858  -9.999   6.776
  162    H8     G  15           H8         G  15 -18.134 -10.076  10.591
  163    H1     G  15           H1         G  15 -16.491 -15.331   7.285
  164   1H2     G  15          1H2         G  15 -16.998 -15.071   5.151
  165   2H2     G  15          2H2         G  15 -17.752 -13.613   4.543
  166    H3T    G  15           H3T        G  15 -21.276  -7.042   6.526
  167   1H2*    G  15          1H2*        G  15 -20.204  -9.353   9.444
  168   2H2*    G  15          2H2*        G  15 -20.969  -9.830   7.935
  169   1H5*    C  16          1H5*        C  16 -15.754 -23.273   3.917
  170   2H5*    C  16          2H5*        C  16 -14.039 -22.944   3.610
  171    H4*    C  16           H4*        C  16 -16.013 -21.491   2.587
  172    H3*    C  16           H3*        C  16 -13.316 -21.195   2.541
  173    H1*    C  16           H1*        C  16 -15.646 -18.402   3.813
  174   1H4     C  16          1H4         C  16 -15.390 -16.403   9.812
  175   2H4     C  16          2H4         C  16 -14.504 -17.821  10.324
  176    H5     C  16           H5         C  16 -13.874 -19.597   8.804
  177    H6     C  16           H6         C  16 -13.969 -20.372   6.494
  178    H5T    C  16           H5T        C  16 -14.416 -21.474   5.595
  179   1H2*    C  16          1H2*        C  16 -13.074 -19.892   4.533
  180   2H2*    C  16          2H2*        C  16 -13.293 -18.613   3.347
  181   1H5*    T  17          1H5*        T  17 -15.476 -18.564  -1.050
  182   2H5*    T  17          2H5*        T  17 -14.245 -17.945  -2.168
  183    H4*    T  17           H4*        T  17 -15.873 -16.275  -1.220
  184    H3*    T  17           H3*        T  17 -13.215 -15.882  -1.895
  185   1H2*    T  17          1H2*        T  17 -12.328 -15.658   0.292
  186   2H2*    T  17          2H2*        T  17 -12.923 -14.016   0.093
  187    H1*    T  17           H1*        T  17 -14.988 -14.473   1.228
  188    H3     T  17           H3         T  17 -14.008 -14.612   5.575
  189   1H5M    T  17          1H5M        T  17 -11.186 -18.542   3.201
  190   2H5M    T  17          2H5M        T  17 -11.473 -18.510   4.957
  191   3H5M    T  17          3H5M        T  17 -10.257 -17.430   4.234
  192    H6     T  17           H6         T  17 -12.467 -17.131   1.832
  193   1H5*    G  18          1H5*        G  18 -16.221 -12.918   0.619
  194   2H5*    G  18          2H5*        G  18 -16.454 -12.252  -1.010
  195    H4*    G  18           H4*        G  18 -17.231 -10.577   0.377
  196    H3*    G  18           H3*        G  18 -15.207  -9.834  -1.179
  197    H1*    G  18           H1*        G  18 -14.680  -9.290   2.763
  198    H8     G  18           H8         G  18 -13.243 -12.436   1.013
  199    H1     G  18           H1         G  18 -11.325 -11.442   7.055
  200   1H2     G  18          1H2         G  18 -12.307  -9.649   7.878
  201   2H2     G  18          2H2         G  18 -13.444  -8.697   6.950
  202   1H2*    G  18          1H2*        G  18 -13.334 -10.177   0.230
  203   2H2*    G  18          2H2*        G  18 -13.752  -8.556   0.769
  204   1H5*    T  19          1H5*        T  19 -15.550  -7.835   2.330
  205   2H5*    T  19          2H5*        T  19 -16.182  -6.178   2.285
  206    H4*    T  19           H4*        T  19 -14.926  -6.037   4.148
  207    H3*    T  19           H3*        T  19 -13.601  -4.835   1.976
  208   1H2*    T  19          1H2*        T  19 -11.672  -6.193   1.980
  209   2H2*    T  19          2H2*        T  19 -11.235  -5.203   3.365
  210    H1*    T  19           H1*        T  19 -12.119  -6.777   4.951
  211    H3     T  19           H3         T  19  -8.985  -9.936   5.163
  212   1H5M    T  19          1H5M        T  19 -11.017 -11.261   0.766
  213   2H5M    T  19          2H5M        T  19 -10.489  -9.725   0.039
  214   3H5M    T  19          3H5M        T  19  -9.283 -10.879   0.659
  215    H6     T  19           H6         T  19 -11.840  -8.443   1.646
  216   1H5*    G  20          1H5*        G  20 -12.500  -4.771   6.154
  217   2H5*    G  20          2H5*        G  20 -12.857  -3.155   6.799
  218    H4*    G  20           H4*        G  20 -11.469  -3.964   8.411
  219    H3*    G  20           H3*        G  20 -10.322  -1.966   6.936
  220    H1*    G  20           H1*        G  20  -8.423  -5.148   8.026
  221    H8     G  20           H8         G  20  -9.451  -5.348   4.283
  222    H1     G  20           H1         G  20  -4.699  -9.245   6.145
  223   1H2     G  20          1H2         G  20  -4.258  -8.927   8.284
  224   2H2     G  20          2H2         G  20  -5.125  -7.753   9.250
  225   1H2*    G  20          1H2*        G  20  -8.818  -3.279   5.643
  226   2H2*    G  20          2H2*        G  20  -7.819  -3.037   7.069
  227   1H5*    G  21          1H5*        G  21  -7.357  -4.821   9.382
  228   2H5*    G  21          2H5*        G  21  -7.836  -3.735  10.703
  229    H4*    G  21           H4*        G  21  -5.868  -4.357  11.564
  230    H3*    G  21           H3*        G  21  -5.547  -1.887  10.614
  231    H1*    G  21           H1*        G  21  -2.977  -4.632   9.441
  232    H8     G  21           H8         G  21  -5.468  -3.382   6.801
  233    H1     G  21           H1         G  21  -1.702  -8.247   4.970
  234   1H2     G  21          1H2         G  21  -0.531  -8.985   6.685
  235   2H2     G  21          2H2         G  21  -0.676  -8.285   8.282
  236   1H2*    G  21          1H2*        G  21  -4.732  -2.376   8.431
  237   2H2*    G  21          2H2*        G  21  -3.205  -2.287   9.296
  238   1H5*    C  22          1H5*        C  22  -2.469  -5.338  10.826
  239   2H5*    C  22          2H5*        C  22  -2.178  -4.686  12.452
  240    H4*    C  22           H4*        C  22  -0.426  -6.135  12.220
  241    H3*    C  22           H3*        C  22   0.398  -3.621  12.430
  242    H1*    C  22           H1*        C  22   1.672  -5.618   9.218
  243   1H4     C  22          1H4         C  22  -1.180  -4.000   3.805
  244   2H4     C  22          2H4         C  22  -2.065  -2.713   4.590
  245    H5     C  22           H5         C  22  -1.980  -2.330   6.979
  246    H6     C  22           H6         C  22  -0.975  -3.053   9.078
  247   1H2*    C  22          1H2*        C  22   0.550  -2.981  10.147
  248   2H2*    C  22          2H2*        C  22   2.168  -3.638  10.346
  249   1H5*    C  23          1H5*        C  23   2.631  -6.594   9.841
  250   2H5*    C  23          2H5*        C  23   3.394  -7.114  11.358
  251    H4*    C  23           H4*        C  23   4.832  -8.118   9.965
  252    H3*    C  23           H3*        C  23   6.106  -6.016  10.953
  253    H1*    C  23           H1*        C  23   5.845  -6.157   6.969
  254   1H4     C  23          1H4         C  23   1.504  -2.308   4.452
  255   2H4     C  23          2H4         C  23   1.168  -1.571   6.003
  256    H5     C  23           H5         C  23   2.214  -2.315   8.065
  257    H6     C  23           H6         C  23   3.777  -3.912   9.045
  258   1H2*    C  23          1H2*        C  23   5.564  -4.340   9.352
  259   2H2*    C  23          2H2*        C  23   7.020  -4.975   8.598
  260   1H5*    C  24          1H5*        C  24   7.620  -8.515   7.986
  261   2H5*    C  24          2H5*        C  24   9.197  -9.324   7.882
  262    H4*    C  24           H4*        C  24   8.510  -9.119   5.682
  263    H3*    C  24           H3*        C  24  10.775  -7.635   6.435
  264    H1*    C  24           H1*        C  24   8.031  -6.697   3.872
  265   1H4     C  24          1H4         C  24   5.294  -0.999   4.365
  266   2H4     C  24          2H4         C  24   5.623  -0.919   6.081
  267    H5     C  24           H5         C  24   6.835  -2.641   7.271
  268    H6     C  24           H6         C  24   7.939  -4.806   7.067
  269   1H2*    C  24          1H2*        C  24   9.989  -5.492   5.883
  270   2H2*    C  24          2H2*        C  24  10.298  -6.019   4.236
  271   1H5*    T  25          1H5*        T  25  10.375  -9.093   2.290
  272   2H5*    T  25          2H5*        T  25  11.748  -9.636   1.302
  273    H4*    T  25           H4*        T  25  10.399  -8.262  -0.058
  274    H3*    T  25           H3*        T  25  13.078  -7.520   0.416
  275   1H2*    T  25          1H2*        T  25  12.664  -5.393   1.348
  276   2H2*    T  25          2H2*        T  25  12.357  -4.952  -0.327
  277    H1*    T  25           H1*        T  25   9.989  -5.297  -0.135
  278    H3     T  25           H3         T  25   8.626  -1.587   1.922
  279   1H5M    T  25          1H5M        T  25  10.255  -3.419   6.015
  280   2H5M    T  25          2H5M        T  25  11.660  -4.348   5.436
  281   3H5M    T  25          3H5M        T  25  11.711  -2.570   5.441
  282    H6     T  25           H6         T  25  11.383  -5.225   3.306
  283   1H5*    G  26          1H5*        G  26  10.959  -5.662  -2.541
  284   2H5*    G  26          2H5*        G  26  11.251  -5.957  -4.267
  285    H4*    G  26           H4*        G  26  10.621  -3.830  -4.471
  286    H3*    G  26           H3*        G  26  13.431  -3.887  -4.373
  287    H1*    G  26           H1*        G  26  11.013  -1.258  -2.950
  288    H8     G  26           H8         G  26  12.629  -3.298  -0.079
  289    H1     G  26           H1         G  26  10.484   2.550   1.485
  290   1H2     G  26          1H2         G  26   9.709   3.576  -0.312
  291   2H2     G  26          2H2         G  26   9.721   2.821  -1.890
  292   1H2*    G  26          1H2*        G  26  13.719  -2.586  -2.427
  293   2H2*    G  26          2H2*        G  26  13.347  -1.257  -3.517
  294   1H5*    A  27          1H5*        A  27  11.344  -0.890  -7.112
  295   2H5*    A  27          2H5*        A  27  12.153  -0.285  -8.572
  296    H4*    A  27           H4*        A  27  11.204   1.537  -7.330
  297    H3*    A  27           H3*        A  27  13.904   1.500  -8.109
  298    H1*    A  27           H1*        A  27  12.368   2.968  -4.864
  299    H8     A  27           H8         A  27  14.482  -0.220  -4.204
  300   1H6     A  27          1H6         A  27  14.865   1.828   1.619
  301   2H6     A  27          2H6         A  27  15.298   0.544   0.511
  302    H2     A  27           H2         A  27  12.541   4.843  -0.768
  303   1H2*    A  27          1H2*        A  27  14.891   1.664  -5.983
  304   2H2*    A  27          2H2*        A  27  14.380   3.343  -6.086
  305   1H5*    G  28          1H5*        G  28  12.486   4.377  -5.020
  306   2H5*    G  28          2H5*        G  28  11.603   4.943  -6.453
  307    H4*    G  28           H4*        G  28  11.253   6.758  -5.231
  308    H3*    G  28           H3*        G  28  13.213   7.400  -6.931
  309    H1*    G  28           H1*        G  28  13.834   8.055  -3.054
  310    H8     G  28           H8         G  28  15.629   5.093  -4.755
  311    H1     G  28           H1         G  28  16.873   5.889   1.491
  312   1H2     G  28          1H2         G  28  15.645   7.526   2.308
  313   2H2     G  28          2H2         G  28  14.514   8.427   1.322
  314   1H2*    G  28          1H2*        G  28  15.134   7.045  -5.583
  315   2H2*    G  28          2H2*        G  28  14.779   8.695  -5.089
  316   1H5*    C  29          1H5*        C  29  12.094   9.948  -3.350
  317   2H5*    C  29          2H5*        C  29  11.703  11.585  -3.921
  318    H4*    C  29           H4*        C  29  12.368  11.784  -1.671
  319    H3*    C  29           H3*        C  29  13.640  13.283  -3.528
  320    H1*    C  29           H1*        C  29  15.653  11.366  -0.806
  321   1H4     C  29          1H4         C  29  19.489   6.626  -2.491
  322   2H4     C  29          2H4         C  29  19.009   6.741  -4.170
  323    H5     C  29           H5         C  29  17.327   8.303  -4.951
  324    H6     C  29           H6         C  29  15.783  10.070  -4.283
  325   1H2*    C  29          1H2*        C  29  15.617  11.977  -3.792
  326   2H2*    C  29          2H2*        C  29  16.126  13.012  -2.464
  327   1H5*    C  30          1H5*        C  30  15.164  12.802   1.154
  328   2H5*    C  30          2H5*        C  30  14.701  14.499   1.399
  329    H4*    C  30           H4*        C  30  16.241  13.989   3.097
  330    H3*    C  30           H3*        C  30  16.786  16.107   1.575
  331    H1*    C  30           H1*        C  30  19.622  13.386   1.954
  332   1H4     C  30          1H4         C  30  20.719   9.639  -3.023
  333   2H4     C  30          2H4         C  30  19.534  10.480  -4.001
  334    H5     C  30           H5         C  30  18.175  12.298  -3.142
  335    H6     C  30           H6         C  30  17.673  13.656  -1.179
  336    H3T    C  30           H3T        C  30  18.343  14.917   3.622
  337   1H2*    C  30          1H2*        C  30  18.186  15.113  -0.074
  338   2H2*    C  30          2H2*        C  30  19.411  15.566   1.104
  339   1H    ASP  10          1H        ASP  10  -3.337  12.745  10.076
  340    HA   ASP  10           HA       ASP  10  -5.569  11.031  10.729
  341   1HB   ASP  10          1HB       ASP  10  -4.734  12.834  12.255
  342   2HB   ASP  10          2HB       ASP  10  -5.303  14.027  11.094
  343    H    GLU  11           H        GLU  11  -4.904  11.589   7.922
  344    HA   GLU  11           HA       GLU  11  -7.071  13.178   6.870
  345   1HB   GLU  11          1HB       GLU  11  -5.111  11.348   5.468
  346   2HB   GLU  11          2HB       GLU  11  -6.178  12.496   4.685
  347   1HG   GLU  11          1HG       GLU  11  -4.129  13.358   6.676
  348   2HG   GLU  11          2HG       GLU  11  -3.760  13.139   4.969
  349    H    LEU  12           H        LEU  12  -8.771  12.303   5.569
  350    HA   LEU  12           HA       LEU  12  -9.429   9.536   6.323
  351   1HB   LEU  12          1HB       LEU  12 -11.243  11.817   5.540
  352   2HB   LEU  12          2HB       LEU  12 -11.781  10.182   5.878
  353    HG   LEU  12           HG       LEU  12 -10.433  12.017   7.861
  354   1HD1  LEU  12          1HD1      LEU  12 -12.683  12.759   7.288
  355   2HD1  LEU  12          2HD1      LEU  12 -12.627  12.113   8.928
  356   3HD1  LEU  12          3HD1      LEU  12 -13.310  11.145   7.622
  357   1HD2  LEU  12          1HD2      LEU  12 -11.669   9.285   8.213
  358   2HD2  LEU  12          2HD2      LEU  12 -11.043  10.310   9.506
  359   3HD2  LEU  12          3HD2      LEU  12  -9.947   9.665   8.284
  360    H    CYS  13           H        CYS  13  -9.868   8.049   4.817
  361    HA   CYS  13           HA       CYS  13  -8.988   8.425   2.167
  362   1HB   CYS  13          1HB       CYS  13  -8.962   6.246   3.282
  363   2HB   CYS  13          2HB       CYS  13 -10.719   6.249   3.362
  364    HG   CYS  13           HG       CYS  13  -8.853   6.065   0.498
  365    HA   PRO  14           HA       PRO  14 -12.687  10.479   0.688
  366   1HB   PRO  14          1HB       PRO  14 -11.890  10.653  -1.918
  367   2HB   PRO  14          2HB       PRO  14 -11.345  11.760  -0.654
  368   1HG   PRO  14          1HG       PRO  14  -9.959   9.380  -1.817
  369   2HG   PRO  14          2HG       PRO  14  -9.293  10.965  -1.386
  370   1HD   PRO  14          1HD       PRO  14  -8.992   8.788   0.188
  371   2HD   PRO  14          2HD       PRO  14  -9.132  10.430   0.851
  372    H    VAL  15           H        VAL  15 -11.467   7.420  -0.196
  373    HA   VAL  15           HA       VAL  15 -13.524   6.730  -2.068
  374    HB   VAL  15           HB       VAL  15 -11.607   4.957  -0.541
  375   1HG1  VAL  15          1HG1      VAL  15 -12.164   3.240  -2.200
  376   2HG1  VAL  15          2HG1      VAL  15 -13.392   4.309  -2.881
  377   3HG1  VAL  15          3HG1      VAL  15 -13.566   3.700  -1.234
  378   1HG2  VAL  15          1HG2      VAL  15 -11.509   6.007  -3.362
  379   2HG2  VAL  15          2HG2      VAL  15 -10.379   4.850  -2.657
  380   3HG2  VAL  15          3HG2      VAL  15 -10.465   6.495  -2.027
  381    H    CYS  16           H        CYS  16 -12.825   5.746   1.293
  382    HA   CYS  16           HA       CYS  16 -15.631   4.886   1.529
  383   1HB   CYS  16          1HB       CYS  16 -14.777   3.433   3.398
  384   2HB   CYS  16          2HB       CYS  16 -14.164   3.015   1.800
  385    HG   CYS  16           HG       CYS  16 -12.328   3.028   4.220
  386    H    GLY  17           H        GLY  17 -12.984   6.237   3.505
  387   1HA   GLY  17          1HA       GLY  17 -13.703   8.358   4.710
  388   2HA   GLY  17          2HA       GLY  17 -15.034   7.369   5.298
  389    H    ASP  18           H        ASP  18 -12.569   5.292   5.077
  390    HA   ASP  18           HA       ASP  18 -12.046   5.231   7.881
  391   1HB   ASP  18          1HB       ASP  18 -12.131   3.180   6.545
  392   2HB   ASP  18          2HB       ASP  18 -10.768   3.729   5.580
  393    H    LYS  19           H        LYS  19  -9.933   5.436   8.871
  394    HA   LYS  19           HA       LYS  19  -8.644   7.840   8.012
  395   1HB   LYS  19          1HB       LYS  19  -7.983   5.913  10.242
  396   2HB   LYS  19          2HB       LYS  19  -7.147   7.437   9.974
  397   1HG   LYS  19          1HG       LYS  19  -9.270   8.636  10.287
  398   2HG   LYS  19          2HG       LYS  19 -10.070   7.098  10.615
  399   1HD   LYS  19          1HD       LYS  19  -8.654   6.747  12.553
  400   2HD   LYS  19          2HD       LYS  19  -7.773   8.235  12.204
  401   1HE   LYS  19          1HE       LYS  19  -9.389   8.623  13.964
  402   2HE   LYS  19          2HE       LYS  19  -9.848   9.515  12.516
  403   1HZ   LYS  19          1HZ       LYS  19 -11.441   7.749  11.999
  404   2HZ   LYS  19          2HZ       LYS  19 -11.764   8.465  13.501
  405   3HZ   LYS  19          3HZ       LYS  19 -11.021   6.942  13.433
  406    H    VAL  20           H        VAL  20  -6.753   8.129   6.993
  407    HA   VAL  20           HA       VAL  20  -5.880   5.912   5.400
  408    HB   VAL  20           HB       VAL  20  -4.538   7.462   4.189
  409   1HG1  VAL  20          1HG1      VAL  20  -6.181   9.171   3.586
  410   2HG1  VAL  20          2HG1      VAL  20  -7.102   8.792   5.041
  411   3HG1  VAL  20          3HG1      VAL  20  -6.924   7.582   3.770
  412   1HG2  VAL  20          1HG2      VAL  20  -4.179   9.772   4.899
  413   2HG2  VAL  20          2HG2      VAL  20  -3.502   8.631   6.062
  414   3HG2  VAL  20          3HG2      VAL  20  -5.029   9.444   6.408
  415    H    SER  21           H        SER  21  -3.592   5.409   5.051
  416    HA   SER  21           HA       SER  21  -2.071   5.515   7.572
  417   1HB   SER  21          1HB       SER  21  -2.760   3.230   6.851
  418   2HB   SER  21          2HB       SER  21  -1.862   3.462   5.352
  419    HG   SER  21           HG       SER  21  -0.025   3.917   6.872
  420    H    GLY  22           H        GLY  22  -2.288   7.277   5.063
  421   1HA   GLY  22          1HA       GLY  22  -0.274   8.802   4.909
  422   2HA   GLY  22          2HA       GLY  22   0.586   7.348   4.422
  423    H    TYR  23           H        TYR  23   0.902   9.143   2.663
  424    HA   TYR  23           HA       TYR  23  -1.189   9.377   0.718
  425   1HB   TYR  23          1HB       TYR  23   0.955  10.875   1.241
  426   2HB   TYR  23          2HB       TYR  23   1.682   9.832   0.027
  427    HD1  TYR  23           HD1      TYR  23   1.179  10.115  -2.294
  428    HD2  TYR  23           HD2      TYR  23  -0.978  12.300   0.649
  429    HE1  TYR  23           HE1      TYR  23   0.228  11.544  -4.056
  430    HE2  TYR  23           HE2      TYR  23  -1.934  13.731  -1.102
  431    HH   TYR  23           HH       TYR  23  -1.776  12.967  -4.383
  432    H    HIS  24           H        HIS  24  -1.795   7.722  -0.578
  433    HA   HIS  24           HA       HIS  24   0.285   5.961  -1.668
  434   1HB   HIS  24          1HB       HIS  24  -2.269   4.898  -0.448
  435   2HB   HIS  24          2HB       HIS  24  -1.023   3.949  -1.237
  436    HD1  HIS  24           HD1      HIS  24   1.485   4.588   0.154
  437    HD2  HIS  24           HD2      HIS  24  -2.144   4.449   2.168
  438    HE1  HIS  24           HE1      HIS  24   2.061   4.080   2.551
  439    HE2  HIS  24           HE2      HIS  24  -0.171   3.708   3.662
  440    H    TYR  25           H        TYR  25   0.024   5.632  -3.789
  441    HA   TYR  25           HA       TYR  25  -0.925   5.022  -5.752
  442   1HB   TYR  25          1HB       TYR  25  -3.454   4.826  -4.117
  443   2HB   TYR  25          2HB       TYR  25  -3.346   4.373  -5.813
  444    HD1  TYR  25           HD1      TYR  25  -2.058   3.582  -2.435
  445    HD2  TYR  25           HD2      TYR  25  -2.509   2.250  -6.447
  446    HE1  TYR  25           HE1      TYR  25  -1.316   1.344  -1.765
  447    HE2  TYR  25           HE2      TYR  25  -1.762   0.000  -5.787
  448    HH   TYR  25           HH       TYR  25  -0.666  -1.161  -4.118
  449    H    GLY  26           H        GLY  26  -1.330   7.903  -4.377
  450   1HA   GLY  26          1HA       GLY  26  -1.499   9.549  -6.382
  451   2HA   GLY  26          2HA       GLY  26  -3.142   8.928  -6.451
  452    H    LEU  27           H        LEU  27  -3.485   8.716  -3.592
  453    HA   LEU  27           HA       LEU  27  -3.077  11.375  -2.558
  454   1HB   LEU  27          1HB       LEU  27  -5.532  11.643  -1.985
  455   2HB   LEU  27          2HB       LEU  27  -5.064  11.946  -3.636
  456    HG   LEU  27           HG       LEU  27  -7.254  10.805  -3.379
  457   1HD1  LEU  27          1HD1      LEU  27  -6.940   9.154  -5.122
  458   2HD1  LEU  27          2HD1      LEU  27  -5.196   9.191  -4.858
  459   3HD1  LEU  27          3HD1      LEU  27  -6.028  10.624  -5.464
  460   1HD2  LEU  27          1HD2      LEU  27  -6.777   9.398  -1.469
  461   2HD2  LEU  27          2HD2      LEU  27  -5.618   8.470  -2.421
  462   3HD2  LEU  27          3HD2      LEU  27  -7.332   8.431  -2.836
  463    H    LEU  28           H        LEU  28  -4.799  11.301  -0.389
  464    HA   LEU  28           HA       LEU  28  -3.399   9.487   1.311
  465   1HB   LEU  28          1HB       LEU  28  -5.765  11.290   1.825
  466   2HB   LEU  28          2HB       LEU  28  -5.012  10.312   3.065
  467    HG   LEU  28           HG       LEU  28  -4.179  12.497   3.346
  468   1HD1  LEU  28          1HD1      LEU  28  -2.492  10.781   3.577
  469   2HD1  LEU  28          2HD1      LEU  28  -1.785  12.264   2.935
  470   3HD1  LEU  28          3HD1      LEU  28  -2.105  10.902   1.860
  471   1HD2  LEU  28          1HD2      LEU  28  -3.123  13.800   1.571
  472   2HD2  LEU  28          2HD2      LEU  28  -4.807  13.433   1.193
  473   3HD2  LEU  28          3HD2      LEU  28  -3.510  12.531   0.409
  474    H    THR  29           H        THR  29  -3.830   7.386   1.458
  475    HA   THR  29           HA       THR  29  -6.640   6.534   1.404
  476    HB   THR  29           HB       THR  29  -5.703   4.386   0.280
  477    HG1  THR  29           HG1      THR  29  -3.935   6.020  -1.081
  478   1HG2  THR  29          1HG2      THR  29  -6.136   5.320  -1.944
  479   2HG2  THR  29          2HG2      THR  29  -6.019   6.950  -1.281
  480   3HG2  THR  29          3HG2      THR  29  -7.325   5.880  -0.768
  481    H    CYS  30           H        CYS  30  -7.081   4.571   2.485
  482    HA   CYS  30           HA       CYS  30  -5.282   4.082   4.728
  483   1HB   CYS  30          1HB       CYS  30  -7.331   2.812   5.581
  484   2HB   CYS  30          2HB       CYS  30  -7.488   4.560   5.431
  485    HG   CYS  30           HG       CYS  30  -9.471   2.332   4.285
  486    H    GLU  31           H        GLU  31  -4.799   1.894   5.383
  487    HA   GLU  31           HA       GLU  31  -3.967   0.275   3.235
  488   1HB   GLU  31          1HB       GLU  31  -4.161  -0.308   6.188
  489   2HB   GLU  31          2HB       GLU  31  -3.434  -1.407   5.025
  490   1HG   GLU  31          1HG       GLU  31  -2.509   1.375   5.700
  491   2HG   GLU  31          2HG       GLU  31  -1.716  -0.141   6.129
  492    H    SER  32           H        SER  32  -6.920   0.385   5.028
  493    HA   SER  32           HA       SER  32  -7.888  -2.195   4.493
  494   1HB   SER  32          1HB       SER  32 -10.161  -1.083   4.753
  495   2HB   SER  32          2HB       SER  32  -9.046  -0.871   6.103
  496    HG   SER  32           HG       SER  32  -9.362   1.184   5.826
  497    H    CYS  33           H        CYS  33  -8.131   0.829   2.641
  498    HA   CYS  33           HA       CYS  33  -9.511  -0.456   0.468
  499   1HB   CYS  33          1HB       CYS  33  -8.288   2.289   0.752
  500   2HB   CYS  33          2HB       CYS  33  -9.085   1.735  -0.720
  501    HG   CYS  33           HG       CYS  33 -10.492   3.356   1.536
  502    H    LYS  34           H        LYS  34  -6.205   0.534   1.180
  503    HA   LYS  34           HA       LYS  34  -5.052  -0.027  -1.304
  504   1HB   LYS  34          1HB       LYS  34  -3.819   1.125   0.427
  505   2HB   LYS  34          2HB       LYS  34  -3.921  -0.268   1.489
  506   1HG   LYS  34          1HG       LYS  34  -2.456  -1.530   0.044
  507   2HG   LYS  34          2HG       LYS  34  -2.428  -0.207  -1.127
  508   1HD   LYS  34          1HD       LYS  34  -1.253   1.209   0.360
  509   2HD   LYS  34          2HD       LYS  34  -1.550   0.138   1.729
  510   1HE   LYS  34          1HE       LYS  34   0.723  -0.132   1.068
  511   2HE   LYS  34          2HE       LYS  34  -0.152  -1.583   0.587
  512   1HZ   LYS  34          1HZ       LYS  34   0.654   0.661  -1.176
  513   2HZ   LYS  34          2HZ       LYS  34  -0.299  -0.643  -1.675
  514   3HZ   LYS  34          3HZ       LYS  34   1.300  -0.902  -1.173
  515    H    GLY  35           H        GLY  35  -5.672  -2.155   1.474
  516   1HA   GLY  35          1HA       GLY  35  -4.591  -4.504   0.315
  517   2HA   GLY  35          2HA       GLY  35  -5.742  -4.445   1.641
  518    H    PHE  36           H        PHE  36  -7.954  -3.357   0.564
  519    HA   PHE  36           HA       PHE  36  -9.186  -5.412  -0.853
  520   1HB   PHE  36          1HB       PHE  36 -10.553  -3.849   0.316
  521   2HB   PHE  36          2HB       PHE  36  -9.875  -2.486  -0.566
  522    HD1  PHE  36           HD1      PHE  36 -10.899  -1.697  -2.502
  523    HD2  PHE  36           HD2      PHE  36 -11.959  -5.533  -0.988
  524    HE1  PHE  36           HE1      PHE  36 -12.742  -1.825  -4.127
  525    HE2  PHE  36           HE2      PHE  36 -13.802  -5.665  -2.611
  526    HZ   PHE  36           HZ       PHE  36 -14.195  -3.811  -4.184
  527    H    PHE  37           H        PHE  37  -7.795  -2.386  -2.036
  528    HA   PHE  37           HA       PHE  37  -8.447  -2.584  -4.726
  529   1HB   PHE  37          1HB       PHE  37  -7.341  -0.653  -3.456
  530   2HB   PHE  37          2HB       PHE  37  -5.821  -1.502  -3.702
  531    HD1  PHE  37           HD1      PHE  37  -4.586  -1.095  -5.618
  532    HD2  PHE  37           HD2      PHE  37  -8.736  -0.162  -5.564
  533    HE1  PHE  37           HE1      PHE  37  -4.369  -0.014  -7.819
  534    HE2  PHE  37           HE2      PHE  37  -8.527   0.914  -7.759
  535    HZ   PHE  37           HZ       PHE  37  -6.346   0.993  -8.893
  536    H    LYS  38           H        LYS  38  -5.516  -3.683  -3.055
  537    HA   LYS  38           HA       LYS  38  -4.253  -4.869  -5.246
  538   1HB   LYS  38          1HB       LYS  38  -4.085  -5.419  -2.290
  539   2HB   LYS  38          2HB       LYS  38  -3.087  -6.271  -3.458
  540   1HG   LYS  38          1HG       LYS  38  -2.095  -4.182  -4.178
  541   2HG   LYS  38          2HG       LYS  38  -3.147  -3.285  -3.081
  542   1HD   LYS  38          1HD       LYS  38  -1.127  -5.357  -2.225
  543   2HD   LYS  38          2HD       LYS  38  -0.854  -3.614  -2.200
  544   1HE   LYS  38          1HE       LYS  38  -2.729  -3.349  -0.644
  545   2HE   LYS  38          2HE       LYS  38  -3.002  -5.089  -0.674
  546   1HZ   LYS  38          1HZ       LYS  38  -0.527  -3.763   0.295
  547   2HZ   LYS  38          2HZ       LYS  38  -0.832  -5.427   0.306
  548   3HZ   LYS  38          3HZ       LYS  38  -1.750  -4.392   1.281
  549    H    ARG  39           H        ARG  39  -6.470  -6.301  -2.856
  550    HA   ARG  39           HA       ARG  39  -6.363  -8.938  -3.804
  551   1HB   ARG  39          1HB       ARG  39  -8.556  -7.399  -2.413
  552   2HB   ARG  39          2HB       ARG  39  -8.699  -9.107  -2.799
  553   1HG   ARG  39          1HG       ARG  39  -6.476  -7.959  -1.130
  554   2HG   ARG  39          2HG       ARG  39  -7.978  -8.605  -0.463
  555   1HD   ARG  39          1HD       ARG  39  -6.038 -10.138  -2.191
  556   2HD   ARG  39          2HD       ARG  39  -6.141 -10.251  -0.435
  557    HE   ARG  39           HE       ARG  39  -8.650 -10.773  -1.677
  558   1HH1  ARG  39          1HH1      ARG  39  -5.538 -12.220  -1.016
  559   2HH1  ARG  39          2HH1      ARG  39  -6.163 -13.843  -0.937
  560   1HH2  ARG  39          1HH2      ARG  39  -9.474 -12.916  -1.601
  561   2HH2  ARG  39          2HH2      ARG  39  -8.391 -14.231  -1.292
  562    H    THR  40           H        THR  40  -8.349  -6.202  -4.813
  563    HA   THR  40           HA       THR  40 -10.003  -7.682  -6.566
  564    HB   THR  40           HB       THR  40  -9.363  -4.732  -6.716
  565    HG1  THR  40           HG1      THR  40 -10.116  -5.139  -4.653
  566   1HG2  THR  40          1HG2      THR  40 -10.555  -5.606  -8.669
  567   2HG2  THR  40          2HG2      THR  40 -11.604  -4.566  -7.705
  568   3HG2  THR  40          3HG2      THR  40 -11.775  -6.318  -7.613
  569    H    VAL  41           H        VAL  41  -7.191  -5.586  -7.180
  570    HA   VAL  41           HA       VAL  41  -7.162  -6.060  -9.967
  571    HB   VAL  41           HB       VAL  41  -4.858  -5.053  -9.899
  572   1HG1  VAL  41          1HG1      VAL  41  -7.091  -3.539  -8.545
  573   2HG1  VAL  41          2HG1      VAL  41  -6.814  -3.666 -10.282
  574   3HG1  VAL  41          3HG1      VAL  41  -5.656  -2.810  -9.264
  575   1HG2  VAL  41          1HG2      VAL  41  -5.473  -4.815  -6.967
  576   2HG2  VAL  41          2HG2      VAL  41  -4.161  -3.989  -7.804
  577   3HG2  VAL  41          3HG2      VAL  41  -4.171  -5.748  -7.700
  578    H    GLN  42           H        GLN  42  -5.206  -7.456  -7.329
  579    HA   GLN  42           HA       GLN  42  -3.448  -8.817  -9.105
  580   1HB   GLN  42          1HB       GLN  42  -3.945  -9.214  -6.154
  581   2HB   GLN  42          2HB       GLN  42  -2.644  -9.975  -7.053
  582   1HG   GLN  42          1HG       GLN  42  -3.020  -7.012  -6.679
  583   2HG   GLN  42          2HG       GLN  42  -1.888  -8.024  -5.790
  584   1HE2  GLN  42          1HE2      GLN  42  -0.113  -6.885  -6.466
  585   2HE2  GLN  42          2HE2      GLN  42   0.487  -6.940  -8.088
  586    H    ASN  43           H        ASN  43  -6.376  -9.771  -7.395
  587    HA   ASN  43           HA       ASN  43  -6.042 -12.541  -8.186
  588   1HB   ASN  43          1HB       ASN  43  -8.355 -11.161  -6.804
  589   2HB   ASN  43          2HB       ASN  43  -8.241 -12.893  -7.091
  590   1HD2  ASN  43          1HD2      ASN  43  -5.336 -12.879  -6.547
  591   2HD2  ASN  43          2HD2      ASN  43  -5.201 -12.773  -4.826
  592    H    ASN  44           H        ASN  44  -6.870  -9.869  -9.817
  593    HA   ASN  44           HA       ASN  44  -7.917  -9.439 -11.791
  594   1HB   ASN  44          1HB       ASN  44  -7.953 -12.458 -11.914
  595   2HB   ASN  44          2HB       ASN  44  -8.593 -11.450 -13.201
  596   1HD2  ASN  44          1HD2      ASN  44  -5.783 -10.575 -11.334
  597   2HD2  ASN  44          2HD2      ASN  44  -4.630 -10.784 -12.608
  598    H    LYS  45           H        LYS  45  -9.366  -9.615  -9.298
  599    HA   LYS  45           HA       LYS  45 -11.910 -10.840  -9.826
  600   1HB   LYS  45          1HB       LYS  45 -10.852  -9.118  -7.601
  601   2HB   LYS  45          2HB       LYS  45 -12.512  -9.674  -7.648
  602   1HG   LYS  45          1HG       LYS  45 -11.832 -11.951  -7.507
  603   2HG   LYS  45          2HG       LYS  45 -10.135 -11.512  -7.723
  604   1HD   LYS  45          1HD       LYS  45 -10.545 -11.979  -5.392
  605   2HD   LYS  45          2HD       LYS  45 -10.230 -10.255  -5.593
  606   1HE   LYS  45          1HE       LYS  45 -12.061 -10.506  -4.082
  607   2HE   LYS  45          2HE       LYS  45 -12.687  -9.877  -5.606
  608   1HZ   LYS  45          1HZ       LYS  45 -13.534 -12.009  -6.177
  609   2HZ   LYS  45          2HZ       LYS  45 -14.030 -11.693  -4.589
  610   3HZ   LYS  45          3HZ       LYS  45 -12.742 -12.754  -4.874
  611    H    HIS  46           H        HIS  46 -13.778  -9.882 -10.345
  612    HA   HIS  46           HA       HIS  46 -13.862  -6.978 -10.637
  613   1HB   HIS  46          1HB       HIS  46 -14.780  -7.095 -12.907
  614   2HB   HIS  46          2HB       HIS  46 -13.167  -7.790 -12.850
  615    HD1  HIS  46           HD1      HIS  46 -16.503  -8.451 -14.052
  616    HD2  HIS  46           HD2      HIS  46 -13.278 -10.763 -12.801
  617    HE1  HIS  46           HE1      HIS  46 -16.939 -10.761 -14.940
  618    HE2  HIS  46           HE2      HIS  46 -14.938 -12.125 -14.257
  619    H    TYR  47           H        TYR  47 -15.581  -6.314  -9.584
  620    HA   TYR  47           HA       TYR  47 -17.745  -8.185  -9.047
  621   1HB   TYR  47          1HB       TYR  47 -17.132  -5.444  -7.929
  622   2HB   TYR  47          2HB       TYR  47 -18.529  -6.409  -7.465
  623    HD1  TYR  47           HD1      TYR  47 -18.190  -8.551  -6.242
  624    HD2  TYR  47           HD2      TYR  47 -14.976  -5.871  -7.015
  625    HE1  TYR  47           HE1      TYR  47 -16.862  -9.645  -4.485
  626    HE2  TYR  47           HE2      TYR  47 -13.638  -6.960  -5.263
  627    HH   TYR  47           HH       TYR  47 -14.143  -8.305  -3.140
  628    H    THR  48           H        THR  48 -19.990  -7.033  -8.919
  629    HA   THR  48           HA       THR  48 -20.365  -5.333 -11.294
  630    HB   THR  48           HB       THR  48 -22.277  -7.566 -10.622
  631    HG1  THR  48           HG1      THR  48 -20.230  -8.510 -11.062
  632   1HG2  THR  48          1HG2      THR  48 -23.086  -5.786 -12.098
  633   2HG2  THR  48          2HG2      THR  48 -22.920  -7.307 -12.977
  634   3HG2  THR  48          3HG2      THR  48 -21.707  -6.040 -13.168
  635    H    CYS  49           H        CYS  49 -22.211  -3.946 -11.163
  636    HA   CYS  49           HA       CYS  49 -23.537  -3.920  -8.538
  637   1HB   CYS  49          1HB       CYS  49 -21.921  -2.043  -8.739
  638   2HB   CYS  49          2HB       CYS  49 -22.787  -1.481 -10.166
  639    HG   CYS  49           HG       CYS  49 -23.333  -0.750  -7.043
  640    H    THR  50           H        THR  50 -25.614  -4.305  -8.720
  641    HA   THR  50           HA       THR  50 -26.969  -4.006 -11.268
  642    HB   THR  50           HB       THR  50 -28.904  -5.013  -9.978
  643    HG1  THR  50           HG1      THR  50 -28.266  -4.419  -7.871
  644   1HG2  THR  50          1HG2      THR  50 -26.305  -6.556  -9.989
  645   2HG2  THR  50          2HG2      THR  50 -27.413  -6.390 -11.350
  646   3HG2  THR  50          3HG2      THR  50 -27.920  -7.259  -9.902
  647    H    GLU  51           H        GLU  51 -26.201  -1.918  -8.950
  648    HA   GLU  51           HA       GLU  51 -28.831  -0.645  -8.729
  649   1HB   GLU  51          1HB       GLU  51 -26.310  -0.008  -7.189
  650   2HB   GLU  51          2HB       GLU  51 -27.939   0.547  -6.832
  651   1HG   GLU  51          1HG       GLU  51 -26.857  -2.247  -6.584
  652   2HG   GLU  51          2HG       GLU  51 -27.393  -1.178  -5.290
  653    H    SER  52           H        SER  52 -27.434   1.899  -7.998
  654    HA   SER  52           HA       SER  52 -27.559   3.054 -10.606
  655   1HB   SER  52          1HB       SER  52 -26.608   4.426  -8.095
  656   2HB   SER  52          2HB       SER  52 -27.419   5.140  -9.490
  657    HG   SER  52           HG       SER  52 -29.316   4.091  -8.901
  658    H    GLN  53           H        GLN  53 -25.104   1.454  -9.081
  659    HA   GLN  53           HA       GLN  53 -22.902   1.163  -9.477
  660   1HB   GLN  53          1HB       GLN  53 -23.376   3.093 -11.742
  661   2HB   GLN  53          2HB       GLN  53 -21.824   2.336 -11.416
  662   1HG   GLN  53          1HG       GLN  53 -22.821   0.134 -11.731
  663   2HG   GLN  53          2HG       GLN  53 -24.384   0.882 -12.036
  664   1HE2  GLN  53          1HE2      GLN  53 -21.354   2.201 -13.233
  665   2HE2  GLN  53          2HE2      GLN  53 -21.651   1.852 -14.899
  666    H    SER  54           H        SER  54 -23.774   4.610  -9.670
  667    HA   SER  54           HA       SER  54 -21.407   5.329  -8.162
  668   1HB   SER  54          1HB       SER  54 -23.778   7.029  -8.984
  669   2HB   SER  54          2HB       SER  54 -22.241   7.620  -8.352
  670    HG   SER  54           HG       SER  54 -21.442   6.228 -10.297
  671    H    CYS  55           H        CYS  55 -22.295   3.659  -6.548
  672    HA   CYS  55           HA       CYS  55 -24.432   4.603  -4.846
  673   1HB   CYS  55          1HB       CYS  55 -22.617   2.199  -4.556
  674   2HB   CYS  55          2HB       CYS  55 -24.070   2.516  -3.612
  675    HG   CYS  55           HG       CYS  55 -24.728   0.514  -5.383
  676    H    LYS  56           H        LYS  56 -24.043   4.581  -2.439
  677    HA   LYS  56           HA       LYS  56 -21.905   6.451  -1.909
  678   1HB   LYS  56          1HB       LYS  56 -23.889   5.324   0.065
  679   2HB   LYS  56          2HB       LYS  56 -22.990   6.832   0.183
  680   1HG   LYS  56          1HG       LYS  56 -24.272   7.792  -1.612
  681   2HG   LYS  56          2HG       LYS  56 -25.098   6.256  -1.888
  682   1HD   LYS  56          1HD       LYS  56 -25.878   6.432   0.531
  683   2HD   LYS  56          2HD       LYS  56 -25.330   8.108   0.468
  684   1HE   LYS  56          1HE       LYS  56 -27.718   7.933  -0.010
  685   2HE   LYS  56          2HE       LYS  56 -26.825   8.537  -1.406
  686   1HZ   LYS  56          1HZ       LYS  56 -28.556   6.770  -1.850
  687   2HZ   LYS  56          2HZ       LYS  56 -27.505   5.672  -1.093
  688   3HZ   LYS  56          3HZ       LYS  56 -27.015   6.484  -2.496
  689    H    ILE  57           H        ILE  57 -19.935   5.754  -1.390
  690    HA   ILE  57           HA       ILE  57 -19.617   3.108  -0.197
  691    HB   ILE  57           HB       ILE  57 -17.458   5.010  -1.118
  692   1HG1  ILE  57          1HG1      ILE  57 -18.934   4.417  -2.984
  693   2HG1  ILE  57          2HG1      ILE  57 -17.360   3.647  -3.167
  694   1HG2  ILE  57          1HG2      ILE  57 -16.683   3.331   0.462
  695   2HG2  ILE  57          2HG2      ILE  57 -16.053   2.998  -1.151
  696   3HG2  ILE  57          3HG2      ILE  57 -17.402   2.054  -0.519
  697   1HD1  ILE  57          1HD1      ILE  57 -19.172   2.139  -3.763
  698   2HD1  ILE  57          2HD1      ILE  57 -19.870   2.324  -2.154
  699   3HD1  ILE  57          3HD1      ILE  57 -18.298   1.547  -2.350
  700    H    ASP  58           H        ASP  58 -20.131   3.295   1.919
  701    HA   ASP  58           HA       ASP  58 -18.571   5.213   3.529
  702   1HB   ASP  58          1HB       ASP  58 -20.415   5.496   4.992
  703   2HB   ASP  58          2HB       ASP  58 -21.106   5.578   3.375
  704    H    LYS  59           H        LYS  59 -19.242   4.177   6.035
  705    HA   LYS  59           HA       LYS  59 -17.429   2.058   6.356
  706   1HB   LYS  59          1HB       LYS  59 -19.673   2.942   8.174
  707   2HB   LYS  59          2HB       LYS  59 -18.369   1.860   8.639
  708   1HG   LYS  59          1HG       LYS  59 -16.749   3.612   8.354
  709   2HG   LYS  59          2HG       LYS  59 -17.984   4.699   7.720
  710   1HD   LYS  59          1HD       LYS  59 -18.166   3.493  10.469
  711   2HD   LYS  59          2HD       LYS  59 -17.311   5.002  10.161
  712   1HE   LYS  59          1HE       LYS  59 -19.529   5.528  10.900
  713   2HE   LYS  59          2HE       LYS  59 -19.405   5.925   9.189
  714   1HZ   LYS  59          1HZ       LYS  59 -20.662   3.469  10.304
  715   2HZ   LYS  59          2HZ       LYS  59 -20.558   3.876   8.664
  716   3HZ   LYS  59          3HZ       LYS  59 -21.492   4.825   9.705
  717    H    THR  60           H        THR  60 -20.939   2.057   5.925
  718    HA   THR  60           HA       THR  60 -21.052  -0.777   6.558
  719    HB   THR  60           HB       THR  60 -23.518  -0.525   6.182
  720    HG1  THR  60           HG1      THR  60 -22.696   2.150   5.664
  721   1HG2  THR  60          1HG2      THR  60 -22.547  -0.376   8.411
  722   2HG2  THR  60          2HG2      THR  60 -23.895   0.751   8.248
  723   3HG2  THR  60          3HG2      THR  60 -22.235   1.343   8.177
  724    H    GLN  61           H        GLN  61 -21.781   1.283   3.714
  725    HA   GLN  61           HA       GLN  61 -22.419  -1.110   2.203
  726   1HB   GLN  61          1HB       GLN  61 -22.555   1.814   1.494
  727   2HB   GLN  61          2HB       GLN  61 -22.958   0.522   0.369
  728   1HG   GLN  61          1HG       GLN  61 -24.600  -0.278   2.148
  729   2HG   GLN  61          2HG       GLN  61 -24.352   1.292   2.906
  730   1HE2  GLN  61          1HE2      GLN  61 -26.716   0.048   1.677
  731   2HE2  GLN  61          2HE2      GLN  61 -27.250   1.156   0.459
  732    H    ARG  62           H        ARG  62 -19.562  -0.058   3.014
  733    HA   ARG  62           HA       ARG  62 -18.189   0.269   0.572
  734   1HB   ARG  62          1HB       ARG  62 -16.142  -0.390   1.876
  735   2HB   ARG  62          2HB       ARG  62 -17.047   0.967   2.522
  736   1HG   ARG  62          1HG       ARG  62 -18.058  -0.521   4.194
  737   2HG   ARG  62          2HG       ARG  62 -17.108  -1.863   3.553
  738   1HD   ARG  62          1HD       ARG  62 -15.078  -0.887   4.238
  739   2HD   ARG  62          2HD       ARG  62 -15.833   0.682   4.508
  740    HE   ARG  62           HE       ARG  62 -17.121  -0.884   6.278
  741   1HH1  ARG  62          1HH1      ARG  62 -13.714  -0.505   5.583
  742   2HH1  ARG  62          2HH1      ARG  62 -13.212  -0.680   7.239
  743   1HH2  ARG  62          1HH2      ARG  62 -16.484  -1.127   8.462
  744   2HH2  ARG  62          2HH2      ARG  62 -14.795  -1.043   8.880
  745    H    LYS  63           H        LYS  63 -19.165  -2.618   2.336
  746    HA   LYS  63           HA       LYS  63 -17.853  -4.259   0.303
  747   1HB   LYS  63          1HB       LYS  63 -18.476  -6.197   1.653
  748   2HB   LYS  63          2HB       LYS  63 -17.578  -5.022   2.599
  749   1HG   LYS  63          1HG       LYS  63 -19.419  -4.439   3.866
  750   2HG   LYS  63          2HG       LYS  63 -20.564  -5.011   2.649
  751   1HD   LYS  63          1HD       LYS  63 -20.466  -6.491   4.620
  752   2HD   LYS  63          2HD       LYS  63 -19.986  -7.312   3.135
  753   1HE   LYS  63          1HE       LYS  63 -17.610  -6.907   3.752
  754   2HE   LYS  63          2HE       LYS  63 -18.165  -6.239   5.287
  755   1HZ   LYS  63          1HZ       LYS  63 -18.554  -9.021   4.316
  756   2HZ   LYS  63          2HZ       LYS  63 -19.242  -8.397   5.737
  757   3HZ   LYS  63          3HZ       LYS  63 -17.555  -8.519   5.593
  758    H    ARG  64           H        ARG  64 -20.873  -2.879   0.994
  759    HA   ARG  64           HA       ARG  64 -22.609  -4.827  -0.093
  760   1HB   ARG  64          1HB       ARG  64 -22.864  -1.845   0.265
  761   2HB   ARG  64          2HB       ARG  64 -24.151  -2.815  -0.439
  762   1HG   ARG  64          1HG       ARG  64 -23.007  -3.546   2.224
  763   2HG   ARG  64          2HG       ARG  64 -24.196  -2.250   2.088
  764   1HD   ARG  64          1HD       ARG  64 -25.317  -4.320   2.607
  765   2HD   ARG  64          2HD       ARG  64 -25.737  -3.815   0.972
  766    HE   ARG  64           HE       ARG  64 -23.534  -5.682   1.108
  767   1HH1  ARG  64          1HH1      ARG  64 -27.019  -5.338   0.899
  768   2HH1  ARG  64          2HH1      ARG  64 -27.259  -6.927   0.225
  769   1HH2  ARG  64          1HH2      ARG  64 -23.843  -7.755   0.237
  770   2HH2  ARG  64          2HH2      ARG  64 -25.447  -8.301  -0.158
  771    H    CYS  65           H        CYS  65 -21.002  -2.011  -1.517
  772    HA   CYS  65           HA       CYS  65 -21.336  -3.315  -4.128
  773   1HB   CYS  65          1HB       CYS  65 -21.620  -0.403  -3.436
  774   2HB   CYS  65          2HB       CYS  65 -21.201  -0.916  -5.067
  775    HG   CYS  65           HG       CYS  65 -23.616  -2.727  -4.857
  776    HA   PRO  66           HA       PRO  66 -16.858  -2.985  -3.230
  777   1HB   PRO  66          1HB       PRO  66 -16.733  -5.397  -4.889
  778   2HB   PRO  66          2HB       PRO  66 -16.187  -5.151  -3.228
  779   1HG   PRO  66          1HG       PRO  66 -18.332  -6.673  -3.835
  780   2HG   PRO  66          2HG       PRO  66 -18.222  -5.739  -2.332
  781   1HD   PRO  66          1HD       PRO  66 -19.719  -5.117  -4.847
  782   2HD   PRO  66          2HD       PRO  66 -20.210  -4.885  -3.155
  783    H    PHE  67           H        PHE  67 -18.588  -3.605  -6.247
  784    HA   PHE  67           HA       PHE  67 -16.438  -2.916  -7.980
  785   1HB   PHE  67          1HB       PHE  67 -18.351  -4.195  -8.801
  786   2HB   PHE  67          2HB       PHE  67 -19.431  -2.852  -8.445
  787    HD1  PHE  67           HD1      PHE  67 -16.340  -3.573 -10.410
  788    HD2  PHE  67           HD2      PHE  67 -20.032  -1.469 -10.172
  789    HE1  PHE  67           HE1      PHE  67 -15.983  -2.697 -12.680
  790    HE2  PHE  67           HE2      PHE  67 -19.680  -0.589 -12.441
  791    HZ   PHE  67           HZ       PHE  67 -17.654  -1.203 -13.699
  792    H    CYS  68           H        CYS  68 -19.118  -1.135  -6.558
  793    HA   CYS  68           HA       CYS  68 -18.596   1.349  -7.780
  794   1HB   CYS  68          1HB       CYS  68 -19.853   0.829  -5.079
  795   2HB   CYS  68          2HB       CYS  68 -20.031   2.284  -6.056
  796    HG   CYS  68           HG       CYS  68 -21.656   1.281  -7.914
  797    H    ARG  69           H        ARG  69 -17.431  -0.181  -4.838
  798    HA   ARG  69           HA       ARG  69 -16.001   2.075  -3.874
  799   1HB   ARG  69          1HB       ARG  69 -16.681   0.232  -2.409
  800   2HB   ARG  69          2HB       ARG  69 -15.617  -0.864  -3.281
  801   1HG   ARG  69          1HG       ARG  69 -13.682   0.416  -2.558
  802   2HG   ARG  69          2HG       ARG  69 -14.739   1.548  -1.711
  803   1HD   ARG  69          1HD       ARG  69 -15.486  -0.188  -0.223
  804   2HD   ARG  69          2HD       ARG  69 -14.582  -1.402  -1.129
  805    HE   ARG  69           HE       ARG  69 -13.090   0.804   0.072
  806   1HH1  ARG  69          1HH1      ARG  69 -14.053  -2.551   0.141
  807   2HH1  ARG  69          2HH1      ARG  69 -12.739  -3.048   1.158
  808   1HH2  ARG  69          1HH2      ARG  69 -11.353   0.172   1.424
  809   2HH2  ARG  69          2HH2      ARG  69 -11.195  -1.495   1.888
  810    H    PHE  70           H        PHE  70 -15.165  -0.661  -5.927
  811    HA   PHE  70           HA       PHE  70 -12.411  -0.167  -6.157
  812   1HB   PHE  70          1HB       PHE  70 -13.428  -2.246  -6.934
  813   2HB   PHE  70          2HB       PHE  70 -14.347  -1.369  -8.151
  814    HD1  PHE  70           HD1      PHE  70 -13.511  -1.184 -10.289
  815    HD2  PHE  70           HD2      PHE  70 -10.843  -2.045  -7.087
  816    HE1  PHE  70           HE1      PHE  70 -11.687  -1.514 -11.904
  817    HE2  PHE  70           HE2      PHE  70  -9.014  -2.377  -8.698
  818    HZ   PHE  70           HZ       PHE  70  -9.435  -2.110 -11.110
  819    H    GLN  71           H        GLN  71 -15.125   0.882  -8.209
  820    HA   GLN  71           HA       GLN  71 -13.543   2.569  -9.847
  821   1HB   GLN  71          1HB       GLN  71 -16.516   2.575  -9.309
  822   2HB   GLN  71          2HB       GLN  71 -15.730   3.563 -10.534
  823   1HG   GLN  71          1HG       GLN  71 -15.775   0.554 -10.430
  824   2HG   GLN  71          2HG       GLN  71 -16.706   1.579 -11.520
  825   1HE2  GLN  71          1HE2      GLN  71 -14.486   3.446 -11.927
  826   2HE2  GLN  71          2HE2      GLN  71 -13.370   2.630 -12.968
  827    H    LYS  72           H        LYS  72 -15.177   3.032  -6.793
  828    HA   LYS  72           HA       LYS  72 -15.050   5.791  -6.550
  829   1HB   LYS  72          1HB       LYS  72 -16.144   4.107  -4.997
  830   2HB   LYS  72          2HB       LYS  72 -14.544   3.797  -4.338
  831   1HG   LYS  72          1HG       LYS  72 -15.678   5.317  -2.905
  832   2HG   LYS  72          2HG       LYS  72 -14.391   6.193  -3.740
  833   1HD   LYS  72          1HD       LYS  72 -16.112   6.931  -5.404
  834   2HD   LYS  72          2HD       LYS  72 -17.339   6.239  -4.341
  835   1HE   LYS  72          1HE       LYS  72 -15.332   8.294  -3.493
  836   2HE   LYS  72          2HE       LYS  72 -16.961   8.691  -4.041
  837   1HZ   LYS  72          1HZ       LYS  72 -16.281   7.005  -1.683
  838   2HZ   LYS  72          2HZ       LYS  72 -17.848   7.364  -2.218
  839   3HZ   LYS  72          3HZ       LYS  72 -16.850   8.602  -1.629
  840    H    CYS  73           H        CYS  73 -12.655   3.298  -5.754
  841    HA   CYS  73           HA       CYS  73 -10.601   4.968  -4.837
  842   1HB   CYS  73          1HB       CYS  73 -10.344   2.361  -6.364
  843   2HB   CYS  73          2HB       CYS  73  -9.097   3.103  -5.369
  844    HG   CYS  73           HG       CYS  73 -12.071   1.839  -4.233
  845    H    LEU  74           H        LEU  74 -11.211   3.640  -8.090
  846    HA   LEU  74           HA       LEU  74  -9.191   4.929  -9.481
  847   1HB   LEU  74          1HB       LEU  74 -11.870   3.841 -10.195
  848   2HB   LEU  74          2HB       LEU  74 -10.993   4.771 -11.385
  849    HG   LEU  74           HG       LEU  74 -10.763   2.215 -11.411
  850   1HD1  LEU  74          1HD1      LEU  74  -9.423   3.776 -12.742
  851   2HD1  LEU  74          2HD1      LEU  74  -8.486   2.384 -12.205
  852   3HD1  LEU  74          3HD1      LEU  74  -8.301   3.938 -11.392
  853   1HD2  LEU  74          1HD2      LEU  74  -8.973   1.332 -10.030
  854   2HD2  LEU  74          2HD2      LEU  74 -10.326   1.907  -9.054
  855   3HD2  LEU  74          3HD2      LEU  74  -8.863   2.881  -9.193
  856    H    THR  75           H        THR  75 -12.372   6.089  -8.552
  857    HA   THR  75           HA       THR  75 -12.438   8.393 -10.170
  858    HB   THR  75           HB       THR  75 -13.855   7.796  -7.569
  859    HG1  THR  75           HG1      THR  75 -14.340   6.429  -9.402
  860   1HG2  THR  75          1HG2      THR  75 -15.402   9.594  -8.177
  861   2HG2  THR  75          2HG2      THR  75 -14.415   9.971  -9.589
  862   3HG2  THR  75          3HG2      THR  75 -13.761  10.211  -7.967
  863    H    VAL  76           H        VAL  76 -11.426   7.935  -6.779
  864    HA   VAL  76           HA       VAL  76 -11.060  10.702  -6.309
  865    HB   VAL  76           HB       VAL  76  -9.928  10.088  -4.245
  866   1HG1  VAL  76          1HG1      VAL  76 -12.343   8.380  -4.828
  867   2HG1  VAL  76          2HG1      VAL  76 -12.351  10.057  -4.282
  868   3HG1  VAL  76          3HG1      VAL  76 -11.742   8.788  -3.220
  869   1HG2  VAL  76          1HG2      VAL  76  -8.606   8.207  -5.057
  870   2HG2  VAL  76          2HG2      VAL  76 -10.073   7.248  -5.248
  871   3HG2  VAL  76          3HG2      VAL  76  -9.552   7.752  -3.640
  872    H    GLY  77           H        GLY  77  -9.048   8.313  -7.797
  873   1HA   GLY  77          1HA       GLY  77  -7.432   9.644  -9.280
  874   2HA   GLY  77          2HA       GLY  77  -6.795  10.210  -7.747
  875    H    MET  78           H        MET  78  -7.709   7.081  -7.219
  876    HA   MET  78           HA       MET  78  -5.011   6.182  -7.125
  877   1HB   MET  78          1HB       MET  78  -7.608   4.673  -6.797
  878   2HB   MET  78          2HB       MET  78  -6.016   3.993  -6.485
  879   1HG   MET  78          1HG       MET  78  -5.638   5.633  -4.733
  880   2HG   MET  78          2HG       MET  78  -7.208   6.364  -5.063
  881   1HE   MET  78          1HE       MET  78  -5.359   3.114  -3.831
  882   2HE   MET  78          2HE       MET  78  -6.388   2.547  -5.146
  883   3HE   MET  78          3HE       MET  78  -6.730   2.056  -3.486
  884    H    ARG  79           H        ARG  79  -3.869   4.981  -8.502
  885    HA   ARG  79           HA       ARG  79  -5.001   4.647 -11.180
  886   1HB   ARG  79          1HB       ARG  79  -2.115   4.446 -10.304
  887   2HB   ARG  79          2HB       ARG  79  -2.713   4.572 -11.952
  888   1HG   ARG  79          1HG       ARG  79  -3.007   6.716  -9.859
  889   2HG   ARG  79          2HG       ARG  79  -1.738   6.667 -11.084
  890   1HD   ARG  79          1HD       ARG  79  -3.455   6.731 -12.839
  891   2HD   ARG  79          2HD       ARG  79  -4.702   6.825 -11.599
  892    HE   ARG  79           HE       ARG  79  -3.507   8.962 -10.923
  893   1HH1  ARG  79          1HH1      ARG  79  -3.659   7.760 -14.207
  894   2HH1  ARG  79          2HH1      ARG  79  -3.412   9.328 -14.931
  895   1HH2  ARG  79          1HH2      ARG  79  -3.217  11.037 -11.860
  896   2HH2  ARG  79          2HH2      ARG  79  -3.157  11.189 -13.595
  897    H    LEU  80           H        LEU  80  -5.071   2.698 -12.238
  898    HA   LEU  80           HA       LEU  80  -4.759   0.259 -10.741
  899   1HB   LEU  80          1HB       LEU  80  -5.198   0.723 -13.693
  900   2HB   LEU  80          2HB       LEU  80  -5.236  -0.845 -12.912
  901    HG   LEU  80           HG       LEU  80  -7.137   1.419 -12.337
  902   1HD1  LEU  80          1HD1      LEU  80  -7.550  -1.138 -13.868
  903   2HD1  LEU  80          2HD1      LEU  80  -7.386   0.467 -14.582
  904   3HD1  LEU  80          3HD1      LEU  80  -8.766   0.098 -13.545
  905   1HD2  LEU  80          1HD2      LEU  80  -8.384  -0.251 -11.080
  906   2HD2  LEU  80          2HD2      LEU  80  -6.760  -0.059 -10.421
  907   3HD2  LEU  80          3HD2      LEU  80  -7.143  -1.455 -11.427
  908    H    GLU  81           H        GLU  81  -3.013   2.054 -13.150
  909    HA   GLU  81           HA       GLU  81  -0.937   0.145 -13.540
  910   1HB   GLU  81          1HB       GLU  81   0.301   2.189 -14.466
  911   2HB   GLU  81          2HB       GLU  81  -1.176   1.691 -15.277
  912   1HG   GLU  81          1HG       GLU  81  -1.334   3.766 -13.149
  913   2HG   GLU  81          2HG       GLU  81  -0.703   4.209 -14.733
  914    H    ALA  82           H        ALA  82  -1.707   1.600 -10.781
  915    HA   ALA  82           HA       ALA  82   1.043   2.092  -9.900
  916   1HB   ALA  82          1HB       ALA  82  -0.634   3.779  -9.304
  917   2HB   ALA  82          2HB       ALA  82   0.050   3.011  -7.871
  918   3HB   ALA  82          3HB       ALA  82  -1.557   2.551  -8.436
  919    H    VAL  83           H        VAL  83  -0.862  -0.484 -10.298
  920    HA   VAL  83           HA       VAL  83   0.411  -1.876  -8.053
  921    HB   VAL  83           HB       VAL  83  -1.913  -1.708  -7.440
  922   1HG1  VAL  83          1HG1      VAL  83  -2.569  -2.948 -10.103
  923   2HG1  VAL  83          2HG1      VAL  83  -2.900  -1.286  -9.611
  924   3HG1  VAL  83          3HG1      VAL  83  -3.717  -2.626  -8.804
  925   1HG2  VAL  83          1HG2      VAL  83  -1.056  -3.753  -6.728
  926   2HG2  VAL  83          2HG2      VAL  83  -1.029  -4.415  -8.365
  927   3HG2  VAL  83          3HG2      VAL  83  -2.571  -4.181  -7.537
  928    H    ARG  84           H        ARG  84   1.739  -3.391  -8.723
  929    HA   ARG  84           HA       ARG  84   1.437  -4.377 -11.473
  930   1HB   ARG  84          1HB       ARG  84   3.888  -4.039  -9.751
  931   2HB   ARG  84          2HB       ARG  84   3.897  -4.948 -11.259
  932   1HG   ARG  84          1HG       ARG  84   3.144  -2.939 -12.454
  933   2HG   ARG  84          2HG       ARG  84   3.200  -2.036 -10.940
  934   1HD   ARG  84          1HD       ARG  84   5.577  -2.370 -10.773
  935   2HD   ARG  84          2HD       ARG  84   5.565  -3.432 -12.182
  936    HE   ARG  84           HE       ARG  84   4.557  -1.183 -13.215
  937   1HH1  ARG  84          1HH1      ARG  84   7.360  -1.731 -11.199
  938   2HH1  ARG  84          2HH1      ARG  84   8.250  -0.381 -11.824
  939   1HH2  ARG  84          1HH2      ARG  84   5.714   0.586 -14.061
  940   2HH2  ARG  84          2HH2      ARG  84   7.307   0.950 -13.467
  941    H    ALA  85           H        ALA  85   1.308  -6.479 -11.905
  942    HA   ALA  85           HA       ALA  85   0.526  -8.179  -9.726
  943   1HB   ALA  85          1HB       ALA  85   0.725  -8.781 -12.667
  944   2HB   ALA  85          2HB       ALA  85  -0.703  -8.163 -11.835
  945   3HB   ALA  85          3HB       ALA  85  -0.084  -9.770 -11.452
  946    H    ASP  86           H        ASP  86   3.328  -7.864 -11.804
  947    HA   ASP  86           HA       ASP  86   4.422 -10.428 -11.309
  948   1HB   ASP  86          1HB       ASP  86   5.230  -9.060 -13.164
  949   2HB   ASP  86          2HB       ASP  86   5.833  -7.850 -12.036
  950    H    ARG  87           H        ARG  87   6.047  -7.490 -10.210
  951    HA   ARG  87           HA       ARG  87   5.622  -7.812  -7.471
  952   1HB   ARG  87          1HB       ARG  87   7.048  -9.893  -7.990
  953   2HB   ARG  87          2HB       ARG  87   8.378  -8.771  -8.250
  954   1HG   ARG  87          1HG       ARG  87   8.610  -9.510  -6.040
  955   2HG   ARG  87          2HG       ARG  87   7.905  -7.895  -5.916
  956   1HD   ARG  87          1HD       ARG  87   6.675  -9.209  -4.407
  957   2HD   ARG  87          2HD       ARG  87   5.644  -9.064  -5.830
  958    HE   ARG  87           HE       ARG  87   7.316 -11.449  -5.340
  959   1HH1  ARG  87          1HH1      ARG  87   4.258  -9.994  -6.218
  960   2HH1  ARG  87          2HH1      ARG  87   3.448 -11.513  -6.430
  961   1HH2  ARG  87          1HH2      ARG  87   6.244 -13.449  -5.583
  962   2HH2  ARG  87          2HH2      ARG  87   4.564 -13.477  -6.040
  963    H    MET  88           H        MET  88   5.740  -5.690  -7.006
  964    HA   MET  88           HA       MET  88   8.305  -4.387  -7.287
  965   1HB   MET  88          1HB       MET  88   7.306  -3.729  -9.387
  966   2HB   MET  88          2HB       MET  88   5.822  -3.244  -8.576
  967   1HG   MET  88          1HG       MET  88   7.236  -1.338  -9.223
  968   2HG   MET  88          2HG       MET  88   6.945  -1.423  -7.486
  969   1HE   MET  88          1HE       MET  88   9.546  -1.998 -10.378
  970   2HE   MET  88          2HE       MET  88   9.433  -3.597  -9.640
  971   3HE   MET  88          3HE       MET  88  10.920  -2.659  -9.491
  972    H    ARG  89           H        ARG  89   8.524  -4.177  -5.141
  973    HA   ARG  89           HA       ARG  89   6.306  -3.114  -3.573
  974   1HB   ARG  89          1HB       ARG  89   8.921  -4.413  -2.866
  975   2HB   ARG  89          2HB       ARG  89   7.949  -3.588  -1.652
  976   1HG   ARG  89          1HG       ARG  89   6.113  -5.080  -2.017
  977   2HG   ARG  89          2HG       ARG  89   6.932  -5.822  -3.391
  978   1HD   ARG  89          1HD       ARG  89   8.123  -5.838  -0.637
  979   2HD   ARG  89          2HD       ARG  89   6.972  -7.069  -1.158
  980    HE   ARG  89           HE       ARG  89   9.379  -6.606  -2.766
  981   1HH1  ARG  89          1HH1      ARG  89   7.541  -8.642  -0.591
  982   2HH1  ARG  89          2HH1      ARG  89   8.472 -10.076  -0.937
  983   1HH2  ARG  89          1HH2      ARG  89  10.603  -8.492  -3.243
  984   2HH2  ARG  89          2HH2      ARG  89  10.222  -9.985  -2.431
  985    H    GLY  90           H        GLY  90   8.485  -1.717  -5.422
  986   1HA   GLY  90          1HA       GLY  90   9.183   0.440  -3.566
  987   2HA   GLY  90          2HA       GLY  90   9.792   0.249  -5.207
  988    H    GLY  91           H        GLY  91   7.705   1.976  -3.291
  989   1HA   GLY  91          1HA       GLY  91   5.424   2.224  -4.944
  990   2HA   GLY  91          2HA       GLY  91   5.867   3.303  -3.633
  991    H    ARG  92           H        ARG  92   8.520   3.705  -5.199
  992    HA   ARG  92           HA       ARG  92   7.389   5.805  -6.915
  993   1HB   ARG  92          1HB       ARG  92  10.128   5.647  -5.656
  994   2HB   ARG  92          2HB       ARG  92   9.546   6.959  -6.669
  995   1HG   ARG  92          1HG       ARG  92   7.843   7.499  -5.017
  996   2HG   ARG  92          2HG       ARG  92   8.396   6.164  -4.003
  997   1HD   ARG  92          1HD       ARG  92  10.630   7.232  -3.904
  998   2HD   ARG  92          2HD       ARG  92   9.978   8.602  -4.801
  999    HE   ARG  92           HE       ARG  92   8.373   8.802  -2.848
 1000   1HH1  ARG  92          1HH1      ARG  92  11.626   7.526  -2.563
 1001   2HH1  ARG  92          2HH1      ARG  92  11.805   7.991  -0.903
 1002   1HH2  ARG  92          1HH2      ARG  92   8.599   9.411  -0.655
 1003   2HH2  ARG  92          2HH2      ARG  92  10.067   9.056   0.191
 1004    H    ASN  93           H        ASN  93   7.143   4.714  -8.810
 1005    HA   ASN  93           HA       ASN  93   9.586   3.620 -10.047
 1006   1HB   ASN  93          1HB       ASN  93   6.687   3.121 -10.782
 1007   2HB   ASN  93          2HB       ASN  93   8.084   2.381 -11.553
 1008   1HD2  ASN  93          1HD2      ASN  93   9.497   2.063  -8.993
 1009   2HD2  ASN  93          2HD2      ASN  93   8.712   0.748  -8.188
 1010    H    LYS  94           H        LYS  94   7.927   3.770 -12.645
 1011    HA   LYS  94           HA       LYS  94   8.860   6.167 -13.716
 1012   1HB   LYS  94          1HB       LYS  94   8.152   4.345 -15.140
 1013   2HB   LYS  94          2HB       LYS  94   6.511   4.438 -14.519
 1014   1HG   LYS  94          1HG       LYS  94   6.626   5.397 -16.727
 1015   2HG   LYS  94          2HG       LYS  94   6.260   6.652 -15.543
 1016   1HD   LYS  94          1HD       LYS  94   8.656   7.283 -15.542
 1017   2HD   LYS  94          2HD       LYS  94   8.936   6.096 -16.819
 1018   1HE   LYS  94          1HE       LYS  94   7.347   7.279 -18.260
 1019   2HE   LYS  94          2HE       LYS  94   7.082   8.470 -16.986
 1020   1HZ   LYS  94          1HZ       LYS  94   8.643   9.284 -18.622
 1021   2HZ   LYS  94          2HZ       LYS  94   9.654   7.948 -18.377
 1022   3HZ   LYS  94          3HZ       LYS  94   9.423   9.079 -17.131
 1023    H    PHE  95           H        PHE  95   6.018   5.471 -11.861
 1024    HA   PHE  95           HA       PHE  95   4.687   7.952 -12.463
 1025   1HB   PHE  95          1HB       PHE  95   4.110   5.855 -10.357
 1026   2HB   PHE  95          2HB       PHE  95   3.053   7.203 -10.766
 1027    HD1  PHE  95           HD1      PHE  95   1.607   7.107 -12.624
 1028    HD2  PHE  95           HD2      PHE  95   4.545   4.082 -12.049
 1029    HE1  PHE  95           HE1      PHE  95   0.561   5.760 -14.392
 1030    HE2  PHE  95           HE2      PHE  95   3.505   2.729 -13.818
 1031    HZ   PHE  95           HZ       PHE  95   1.513   3.569 -14.994
 1032    H    GLY  96           H        GLY  96   7.381   7.380 -10.786
 1033   1HA   GLY  96          1HA       GLY  96   7.054   8.531  -8.266
 1034   2HA   GLY  96          2HA       GLY  96   8.553   8.506  -9.179
 1035    HA   PRO  97           HA       PRO  97   8.506  12.819 -10.170
 1036   1HB   PRO  97          1HB       PRO  97   7.741  13.022 -12.848
 1037   2HB   PRO  97          2HB       PRO  97   9.388  12.791 -12.256
 1038   1HG   PRO  97          1HG       PRO  97   7.442  10.779 -13.289
 1039   2HG   PRO  97          2HG       PRO  97   9.201  10.862 -13.509
 1040   1HD   PRO  97          1HD       PRO  97   8.104   9.131 -11.795
 1041   2HD   PRO  97          2HD       PRO  97   9.629   9.958 -11.411
 1042    H    MET  98           H        MET  98   5.692  11.305 -11.780
 1043    HA   MET  98           HA       MET  98   4.115  13.670 -11.597
 1044   1HB   MET  98          1HB       MET  98   2.227  12.298 -12.304
 1045   2HB   MET  98          2HB       MET  98   3.633  11.986 -13.309
 1046   1HG   MET  98          1HG       MET  98   3.983   9.884 -12.356
 1047   2HG   MET  98          2HG       MET  98   2.956  10.249 -10.972
 1048   1HE   MET  98          1HE       MET  98   0.372  10.161 -10.955
 1049   2HE   MET  98          2HE       MET  98  -0.621  10.060 -12.409
 1050   3HE   MET  98          3HE       MET  98   0.378  11.484 -12.122
 1051    H    TYR  99           H        TYR  99   4.623  10.915  -9.519
 1052    HA   TYR  99           HA       TYR  99   2.414  11.239  -7.799
 1053   1HB   TYR  99          1HB       TYR  99   4.141   9.311  -7.994
 1054   2HB   TYR  99          2HB       TYR  99   5.124  10.276  -6.902
 1055    HD1  TYR  99           HD1      TYR  99   4.950   9.848  -4.642
 1056    HD2  TYR  99           HD2      TYR  99   1.648   8.947  -7.168
 1057    HE1  TYR  99           HE1      TYR  99   3.770   8.840  -2.733
 1058    HE2  TYR  99           HE2      TYR  99   0.459   7.942  -5.268
 1059    HH   TYR  99           HH       TYR  99   1.605   8.234  -2.019
 1060    H    LYS 100           H        LYS 100   5.733  12.432  -7.651
 1061    HA   LYS 100           HA       LYS 100   5.557  13.967  -5.314
 1062   1HB   LYS 100          1HB       LYS 100   7.212  14.503  -7.791
 1063   2HB   LYS 100          2HB       LYS 100   7.502  15.181  -6.197
 1064   1HG   LYS 100          1HG       LYS 100   8.210  13.129  -5.326
 1065   2HG   LYS 100          2HG       LYS 100   7.509  12.220  -6.668
 1066   1HD   LYS 100          1HD       LYS 100   9.924  12.326  -6.901
 1067   2HD   LYS 100          2HD       LYS 100   9.147  13.239  -8.194
 1068   1HE   LYS 100          1HE       LYS 100   9.479  15.286  -6.692
 1069   2HE   LYS 100          2HE       LYS 100  10.587  14.271  -5.768
 1070   1HZ   LYS 100          1HZ       LYS 100  11.864  15.464  -7.351
 1071   2HZ   LYS 100          2HZ       LYS 100  10.810  15.066  -8.616
 1072   3HZ   LYS 100          3HZ       LYS 100  11.783  13.864  -7.916
 1073    H    ARG 101           H        ARG 101   5.007  14.807  -8.702
 1074    HA   ARG 101           HA       ARG 101   4.480  17.548  -8.274
 1075   1HB   ARG 101          1HB       ARG 101   5.151  16.604 -10.451
 1076   2HB   ARG 101          2HB       ARG 101   3.605  15.774 -10.559
 1077   1HG   ARG 101          1HG       ARG 101   2.459  17.944 -10.563
 1078   2HG   ARG 101          2HG       ARG 101   4.026  18.754 -10.511
 1079   1HD   ARG 101          1HD       ARG 101   3.063  16.903 -12.688
 1080   2HD   ARG 101          2HD       ARG 101   3.128  18.662 -12.787
 1081    HE   ARG 101           HE       ARG 101   5.685  17.979 -12.188
 1082   1HH1  ARG 101          1HH1      ARG 101   3.439  16.905 -14.661
 1083   2HH1  ARG 101          2HH1      ARG 101   4.685  16.630 -15.846
 1084   1HH2  ARG 101          1HH2      ARG 101   7.315  17.592 -13.709
 1085   2HH2  ARG 101          2HH2      ARG 101   6.904  16.996 -15.294
 1086    H    ASP 102           H        ASP 102   2.332  14.740  -8.643
 1087    HA   ASP 102           HA       ASP 102  -0.108  16.084  -8.623
 1088   1HB   ASP 102          1HB       ASP 102   0.789  13.334  -8.195
 1089   2HB   ASP 102          2HB       ASP 102  -0.665  13.735  -7.285
 1090    H    ARG 103           H        ARG 103   1.760  14.788  -5.886
 1091    HA   ARG 103           HA       ARG 103  -0.065  15.615  -3.897
 1092   1HB   ARG 103          1HB       ARG 103   1.805  13.978  -3.560
 1093   2HB   ARG 103          2HB       ARG 103   2.926  15.335  -3.582
 1094   1HG   ARG 103          1HG       ARG 103   1.691  16.306  -1.655
 1095   2HG   ARG 103          2HG       ARG 103   0.727  14.830  -1.590
 1096   1HD   ARG 103          1HD       ARG 103   2.482  14.642   0.017
 1097   2HD   ARG 103          2HD       ARG 103   2.844  13.548  -1.316
 1098    HE   ARG 103           HE       ARG 103   4.257  15.625  -2.083
 1099   1HH1  ARG 103          1HH1      ARG 103   3.862  14.389   1.178
 1100   2HH1  ARG 103          2HH1      ARG 103   5.458  14.869   1.681
 1101   1HH2  ARG 103          1HH2      ARG 103   6.318  16.282  -1.422
 1102   2HH2  ARG 103          2HH2      ARG 103   6.856  15.970   0.204
 1103    H    ALA 104           H        ALA 104   2.687  17.205  -5.422
 1104    HA   ALA 104           HA       ALA 104   2.738  19.490  -3.766
 1105   1HB   ALA 104          1HB       ALA 104   4.608  18.868  -5.215
 1106   2HB   ALA 104          2HB       ALA 104   4.073  20.519  -5.527
 1107   3HB   ALA 104          3HB       ALA 104   3.627  19.222  -6.637
 1108    H    LEU 105           H        LEU 105   1.034  18.756  -6.775
 1109    HA   LEU 105           HA       LEU 105  -0.105  21.322  -7.131
 1110   1HB   LEU 105          1HB       LEU 105  -1.060  18.623  -8.087
 1111   2HB   LEU 105          2HB       LEU 105  -1.707  20.159  -8.630
 1112    HG   LEU 105           HG       LEU 105   1.107  19.156  -9.064
 1113   1HD1  LEU 105          1HD1      LEU 105  -1.175  19.606 -10.983
 1114   2HD1  LEU 105          2HD1      LEU 105  -0.542  18.043 -10.463
 1115   3HD1  LEU 105          3HD1      LEU 105   0.465  19.127 -11.424
 1116   1HD2  LEU 105          1HD2      LEU 105   1.060  21.574  -8.722
 1117   2HD2  LEU 105          2HD2      LEU 105  -0.189  21.728  -9.957
 1118   3HD2  LEU 105          3HD2      LEU 105   1.425  21.171 -10.400
 1119    H    LYS 106           H        LYS 106  -1.031  18.522  -5.273
 1120    HA   LYS 106           HA       LYS 106  -3.670  19.325  -4.641
 1121   1HB   LYS 106          1HB       LYS 106  -2.869  17.035  -4.310
 1122   2HB   LYS 106          2HB       LYS 106  -1.752  17.596  -3.073
 1123   1HG   LYS 106          1HG       LYS 106  -3.645  18.314  -1.698
 1124   2HG   LYS 106          2HG       LYS 106  -4.756  17.720  -2.935
 1125   1HD   LYS 106          1HD       LYS 106  -3.938  15.468  -2.632
 1126   2HD   LYS 106          2HD       LYS 106  -2.733  16.033  -1.473
 1127   1HE   LYS 106          1HE       LYS 106  -5.725  16.205  -1.139
 1128   2HE   LYS 106          2HE       LYS 106  -4.667  15.037  -0.347
 1129   1HZ   LYS 106          1HZ       LYS 106  -5.167  16.837   1.145
 1130   2HZ   LYS 106          2HZ       LYS 106  -4.625  17.990   0.025
 1131   3HZ   LYS 106          3HZ       LYS 106  -3.523  16.910   0.731
 1132    H    GLN 107           H        GLN 107  -0.537  20.122  -3.325
 1133    HA   GLN 107           HA       GLN 107  -1.667  21.526  -1.049
 1134   1HB   GLN 107          1HB       GLN 107   1.181  21.222  -2.015
 1135   2HB   GLN 107          2HB       GLN 107   0.717  22.071  -0.546
 1136   1HG   GLN 107          1HG       GLN 107  -0.166  20.033   0.400
 1137   2HG   GLN 107          2HG       GLN 107   0.170  19.163  -1.096
 1138   1HE2  GLN 107          1HE2      GLN 107   1.115  18.730   1.657
 1139   2HE2  GLN 107          2HE2      GLN 107   2.843  18.740   1.557
 1140    H    GLN 108           H        GLN 108  -0.121  22.240  -4.116
 1141    HA   GLN 108           HA       GLN 108   0.056  25.046  -3.780
 1142   1HB   GLN 108          1HB       GLN 108   1.413  23.878  -5.424
 1143   2HB   GLN 108          2HB       GLN 108  -0.027  23.339  -6.274
 1144   1HG   GLN 108          1HG       GLN 108  -0.562  25.701  -6.775
 1145   2HG   GLN 108          2HG       GLN 108   0.962  26.169  -6.021
 1146   1HE2  GLN 108          1HE2      GLN 108  -0.529  24.576  -8.728
 1147   2HE2  GLN 108          2HE2      GLN 108   0.867  24.560  -9.744
 1148    H    LYS 109           H        LYS 109  -1.339  26.666  -4.302
 1149    HA   LYS 109           HA       LYS 109  -4.098  25.902  -4.825
 1150   1HB   LYS 109          1HB       LYS 109  -2.879  28.612  -4.248
 1151   2HB   LYS 109          2HB       LYS 109  -4.597  28.315  -4.472
 1152   1HG   LYS 109          1HG       LYS 109  -4.377  28.370  -2.174
 1153   2HG   LYS 109          2HG       LYS 109  -4.330  26.641  -2.524
 1154   1HD   LYS 109          1HD       LYS 109  -1.834  26.794  -2.505
 1155   2HD   LYS 109          2HD       LYS 109  -1.997  28.459  -1.946
 1156   1HE   LYS 109          1HE       LYS 109  -1.624  27.072  -0.038
 1157   2HE   LYS 109          2HE       LYS 109  -3.304  27.608  -0.006
 1158   1HZ   LYS 109          1HZ       LYS 109  -4.008  25.481  -0.828
 1159   2HZ   LYS 109          2HZ       LYS 109  -3.012  25.233   0.528
 1160   3HZ   LYS 109          3HZ       LYS 109  -2.401  24.970  -1.030
 1161    H    LYS 110           H        LYS 110  -1.947  28.423  -6.145
 1162    HA   LYS 110           HA       LYS 110  -2.779  27.646  -8.840
 1163   1HB   LYS 110          1HB       LYS 110  -3.090  30.383  -7.633
 1164   2HB   LYS 110          2HB       LYS 110  -2.912  30.169  -9.368
 1165   1HG   LYS 110          1HG       LYS 110  -5.083  28.966  -7.663
 1166   2HG   LYS 110          2HG       LYS 110  -5.251  30.370  -8.720
 1167   1HD   LYS 110          1HD       LYS 110  -4.701  28.988 -10.656
 1168   2HD   LYS 110          2HD       LYS 110  -4.499  27.585  -9.606
 1169   1HE   LYS 110          1HE       LYS 110  -6.653  27.431 -10.599
 1170   2HE   LYS 110          2HE       LYS 110  -6.879  27.869  -8.908
 1171   1HZ   LYS 110          1HZ       LYS 110  -6.948  29.775 -11.187
 1172   2HZ   LYS 110          2HZ       LYS 110  -7.240  30.152  -9.562
 1173   3HZ   LYS 110          3HZ       LYS 110  -8.309  29.140 -10.402
 1174    H    ALA 111           H        ALA 111  -1.417  28.576 -10.522
 1175    HA   ALA 111           HA       ALA 111   1.132  29.695  -9.710
 1176   1HB   ALA 111          1HB       ALA 111   1.525  27.284  -9.505
 1177   2HB   ALA 111          2HB       ALA 111   2.456  27.974 -10.835
 1178   3HB   ALA 111          3HB       ALA 111   0.990  27.053 -11.170
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  29.847   2.870   0.243
    2   2H5*    G   1          2H5*        G   1  29.123   1.276  -0.027
    3    H4*    G   1           H4*        G   1  28.452   2.813   2.000
    4    H3*    G   1           H3*        G   1  27.324   0.530   0.947
    5    H1*    G   1           H1*        G   1  25.418   3.713   1.870
    6    H8     G   1           H8         G   1  25.141   2.957  -1.904
    7    H1     G   1           H1         G   1  22.133   8.265   0.103
    8   1H2     G   1          1H2         G   1  22.567   8.616   2.234
    9   2H2     G   1          2H2         G   1  23.607   7.555   3.161
   10    H5T    G   1           H5T        G   1  27.693   3.329  -1.147
   11   1H2*    G   1          1H2*        G   1  25.595   1.579  -0.320
   12   2H2*    G   1          2H2*        G   1  24.786   1.464   1.236
   13   1H5*    G   2          1H5*        G   2  26.344   2.656   4.773
   14   2H5*    G   2          2H5*        G   2  26.135   1.466   6.074
   15    H4*    G   2           H4*        G   2  25.223   3.548   6.786
   16    H3*    G   2           H3*        G   2  23.776   1.306   7.066
   17    H1*    G   2           H1*        G   2  22.144   4.449   5.529
   18    H8     G   2           H8         G   2  23.011   1.797   2.833
   19    H1     G   2           H1         G   2  19.642   6.886   0.841
   20   1H2     G   2          1H2         G   2  19.372   8.308   2.509
   21   2H2     G   2          2H2         G   2  20.029   8.012   4.103
   22   1H2*    G   2          1H2*        G   2  22.510   1.458   5.028
   23   2H2*    G   2          2H2*        G   2  21.419   2.247   6.159
   24   1H5*    C   3          1H5*        C   3  21.910   5.725   7.003
   25   2H5*    C   3          2H5*        C   3  21.519   5.680   8.736
   26    H4*    C   3           H4*        C   3  20.138   7.324   7.803
   27    H3*    C   3           H3*        C   3  18.932   5.338   9.157
   28    H1*    C   3           H1*        C   3  17.571   6.401   5.673
   29   1H4     C   3          1H4         C   3  18.087   2.451   0.749
   30   2H4     C   3          2H4         C   3  19.075   1.331   1.665
   31    H5     C   3           H5         C   3  19.718   1.723   3.964
   32    H6     C   3           H6         C   3  19.566   3.271   5.842
   33   1H2*    C   3          1H2*        C   3  18.320   3.942   7.312
   34   2H2*    C   3          2H2*        C   3  16.881   4.946   7.434
   35   1H5*    T   4          1H5*        T   4  16.141   9.003   8.418
   36   2H5*    T   4          2H5*        T   4  14.891   9.332   9.638
   37    H4*    T   4           H4*        T   4  13.891   9.341   7.475
   38    H3*    T   4           H3*        T   4  12.938   7.640   9.502
   39   1H2*    T   4          1H2*        T   4  13.277   5.590   8.376
   40   2H2*    T   4          2H2*        T   4  11.814   6.072   7.526
   41    H1*    T   4           H1*        T   4  13.046   7.090   5.715
   42    H3     T   4           H3         T   4  14.560   3.833   3.088
   43   1H5M    T   4          1H5M        T   4  16.875   2.920   7.753
   44   2H5M    T   4          2H5M        T   4  15.487   1.806   7.683
   45   3H5M    T   4          3H5M        T   4  16.781   1.695   6.466
   46    H6     T   4           H6         T   4  15.010   4.690   7.757
   47   1H5*    C   5          1H5*        C   5  10.172  10.104   6.788
   48   2H5*    C   5          2H5*        C   5   8.410  10.081   7.001
   49    H4*    C   5           H4*        C   5   9.213  10.225   4.643
   50    H3*    C   5           H3*        C   5   6.986   8.922   5.566
   51    H1*    C   5           H1*        C   5   9.462   7.326   3.000
   52   1H4     C   5          1H4         C   5  12.138   1.818   4.647
   53   2H4     C   5          2H4         C   5  12.041   2.209   6.349
   54    H5     C   5           H5         C   5  11.073   4.265   7.172
   55    H6     C   5           H6         C   5   9.981   6.351   6.538
   56   1H2*    C   5          1H2*        C   5   7.732   6.681   5.420
   57   2H2*    C   5          2H2*        C   5   7.257   6.892   3.740
   58   1H5*    A   6          1H5*        A   6   8.065   7.466   1.241
   59   2H5*    A   6          2H5*        A   6   6.955   8.636   0.498
   60    H4*    A   6           H4*        A   6   6.697   7.024  -1.024
   61    H3*    A   6           H3*        A   6   4.522   6.984   0.548
   62    H1*    A   6           H1*        A   6   6.386   3.641  -0.209
   63    H8     A   6           H8         A   6   7.096   5.067   3.335
   64   1H6     A   6          1H6         A   6   9.794  -0.404   4.413
   65   2H6     A   6          2H6         A   6   9.348   1.140   5.108
   66    H2     A   6           H2         A   6   8.404  -0.351   0.148
   67   1H2*    A   6          1H2*        A   6   5.168   5.260   2.063
   68   2H2*    A   6          2H2*        A   6   4.354   4.293   0.840
   69   1H5*    G   7          1H5*        G   7   6.532   3.287  -2.057
   70   2H5*    G   7          2H5*        G   7   5.282   3.736  -3.237
   71    H4*    G   7           H4*        G   7   5.992   1.520  -3.722
   72    H3*    G   7           H3*        G   7   3.370   2.024  -3.508
   73    H1*    G   7           H1*        G   7   4.868  -0.991  -1.637
   74    H8     G   7           H8         G   7   4.045   1.911   0.798
   75    H1     G   7           H1         G   7   6.470  -3.427   3.420
   76   1H2     G   7          1H2         G   7   6.958  -4.877   1.820
   77   2H2     G   7          2H2         G   7   6.687  -4.522   0.130
   78   1H2*    G   7          1H2*        G   7   3.111   1.466  -1.177
   79   2H2*    G   7          2H2*        G   7   2.672  -0.053  -1.946
   80   1H5*    G   8          1H5*        G   8   4.159  -1.956  -6.331
   81   2H5*    G   8          2H5*        G   8   2.638  -2.668  -6.908
   82    H4*    G   8           H4*        G   8   4.419  -4.190  -5.866
   83    H3*    G   8           H3*        G   8   1.655  -4.488  -5.998
   84    H1*    G   8           H1*        G   8   3.871  -5.189  -2.836
   85    H8     G   8           H8         G   8   1.773  -1.935  -2.662
   86    H1     G   8           H1         G   8   3.420  -4.485   2.997
   87   1H2     G   8          1H2         G   8   4.553  -6.354   2.682
   88   2H2     G   8          2H2         G   8   4.894  -6.979   1.083
   89   1H2*    G   8          1H2*        G   8   1.111  -4.272  -3.720
   90   2H2*    G   8          2H2*        G   8   1.769  -5.899  -3.604
   91   1H5*    G   9          1H5*        G   9   3.912  -6.829  -3.170
   92   2H5*    G   9          2H5*        G   9   4.361  -8.141  -4.277
   93    H4*    G   9           H4*        G   9   4.674  -9.284  -2.398
   94    H3*    G   9           H3*        G   9   2.276 -10.075  -3.376
   95    H1*    G   9           H1*        G   9   2.737  -9.204   0.384
   96    H8     G   9           H8         G   9   0.922  -6.434  -1.626
   97    H1     G   9           H1         G   9   0.723  -5.849   4.762
   98   1H2     G   9          1H2         G   9   1.870  -7.477   5.711
   99   2H2     G   9          2H2         G   9   2.679  -8.714   4.775
  100   1H2*    G   9          1H2*        G   9   0.854  -8.759  -1.977
  101   2H2*    G   9          2H2*        G   9   1.029 -10.187  -0.966
  102   1H5*    C  10          1H5*        C  10   4.234 -12.440   0.540
  103   2H5*    C  10          2H5*        C  10   3.584 -14.078   0.312
  104    H4*    C  10           H4*        C  10   3.992 -13.444   2.673
  105    H3*    C  10           H3*        C  10   1.983 -15.021   1.814
  106    H1*    C  10           H1*        C  10   1.299 -12.116   4.241
  107   1H4     C  10          1H4         C  10  -2.351  -7.226   2.574
  108   2H4     C  10          2H4         C  10  -2.208  -7.604   0.872
  109    H5     C  10           H5         C  10  -0.899  -9.467   0.044
  110    H6     C  10           H6         C  10   0.527 -11.340   0.680
  111   1H2*    C  10          1H2*        C  10   0.290 -13.328   1.621
  112   2H2*    C  10          2H2*        C  10   0.004 -13.898   3.259
  113   1H5*    C  11          1H5*        C  11   1.217 -12.307   5.621
  114   2H5*    C  11          2H5*        C  11   2.211 -13.600   6.322
  115    H4*    C  11           H4*        C  11   1.328 -12.877   8.239
  116    H3*    C  11           H3*        C  11   0.022 -15.133   7.569
  117    H1*    C  11           H1*        C  11  -2.119 -11.903   8.459
  118   1H4     C  11          1H4         C  11  -5.239  -9.389   3.564
  119   2H4     C  11          2H4         C  11  -4.480 -10.484   2.426
  120    H5     C  11           H5         C  11  -2.827 -12.141   3.097
  121    H6     C  11           H6         C  11  -1.578 -13.055   4.974
  122   1H2*    C  11          1H2*        C  11  -1.953 -14.278   6.604
  123   2H2*    C  11          2H2*        C  11  -2.460 -14.203   8.286
  124   1H5*    A  12          1H5*        A  12  -2.201 -11.898   9.912
  125   2H5*    A  12          2H5*        A  12  -1.544 -12.568  11.419
  126    H4*    A  12           H4*        A  12  -3.299 -11.544  12.333
  127    H3*    A  12           H3*        A  12  -3.915 -14.176  12.160
  128    H1*    A  12           H1*        A  12  -6.458 -11.439  11.080
  129    H8     A  12           H8         A  12  -4.997 -13.485   8.137
  130   1H6     A  12          1H6         A  12  -8.868 -10.234   4.575
  131   2H6     A  12          2H6         A  12  -7.701 -11.539   4.619
  132    H2     A  12           H2         A  12  -9.208  -8.681   8.775
  133   1H2*    A  12          1H2*        A  12  -5.289 -14.119  10.212
  134   2H2*    A  12          2H2*        A  12  -6.508 -13.798  11.438
  135   1H5*    C  13          1H5*        C  13  -6.205 -11.296  14.243
  136   2H5*    C  13          2H5*        C  13  -7.012 -11.389  15.823
  137    H4*    C  13           H4*        C  13  -8.271  -9.934  14.447
  138    H3*    C  13           H3*        C  13  -9.506 -12.121  15.607
  139    H1*    C  13           H1*        C  13 -10.201 -10.748  12.098
  140   1H4     C  13          1H4         C  13  -9.594 -14.316   6.916
  141   2H4     C  13          2H4         C  13  -8.610 -15.501   7.749
  142    H5     C  13           H5         C  13  -8.025 -15.305  10.098
  143    H6     C  13           H6         C  13  -8.276 -13.941  12.107
  144   1H2*    C  13          1H2*        C  13  -9.881 -13.383  13.626
  145   2H2*    C  13          2H2*        C  13 -11.293 -12.336  13.552
  146   1H5*    A  14          1H5*        A  14 -11.988  -8.044  15.071
  147   2H5*    A  14          2H5*        A  14 -13.378  -8.084  16.173
  148    H4*    A  14           H4*        A  14 -13.773  -6.822  14.088
  149    H3*    A  14           H3*        A  14 -15.616  -8.324  15.355
  150    H1*    A  14           H1*        A  14 -15.047  -8.761  11.518
  151    H8     A  14           H8         A  14 -13.339 -11.492  13.674
  152   1H6     A  14          1H6         A  14 -12.797 -14.642   8.375
  153   2H6     A  14          2H6         A  14 -12.486 -14.658  10.098
  154    H2     A  14           H2         A  14 -14.796 -10.721   7.471
  155   1H2*    A  14          1H2*        A  14 -15.392 -10.344  14.099
  156   2H2*    A  14          2H2*        A  14 -16.619  -9.527  13.137
  157   1H5*    G  15          1H5*        G  15 -16.053  -7.781  10.685
  158   2H5*    G  15          2H5*        G  15 -16.636  -6.213  11.279
  159    H4*    G  15           H4*        G  15 -17.518  -6.083   9.223
  160    H3*    G  15           H3*        G  15 -19.541  -6.542  10.850
  161    H1*    G  15           H1*        G  15 -19.010  -9.370   8.026
  162    H8     G  15           H8         G  15 -17.651  -9.801  11.622
  163    H1     G  15           H1         G  15 -16.665 -14.720   7.616
  164   1H2     G  15          1H2         G  15 -17.400 -14.205   5.598
  165   2H2     G  15          2H2         G  15 -18.132 -12.657   5.241
  166    H3T    G  15           H3T        G  15 -20.900  -6.515   8.935
  167   1H2*    G  15          1H2*        G  15 -19.615  -8.910  10.919
  168   2H2*    G  15          2H2*        G  15 -20.644  -8.669   9.513
  169   1H5*    C  16          1H5*        C  16 -18.486 -21.674   3.873
  170   2H5*    C  16          2H5*        C  16 -16.805 -22.067   3.473
  171    H4*    C  16           H4*        C  16 -18.029 -19.860   2.644
  172    H3*    C  16           H3*        C  16 -15.483 -20.691   2.382
  173    H1*    C  16           H1*        C  16 -16.280 -17.328   4.010
  174   1H4     C  16          1H4         C  16 -15.140 -16.042  10.091
  175   2H4     C  16          2H4         C  16 -14.697 -17.700  10.436
  176    H5     C  16           H5         C  16 -14.791 -19.460   8.770
  177    H6     C  16           H6         C  16 -15.307 -19.977   6.442
  178    H5T    C  16           H5T        C  16 -17.596 -20.658   5.814
  179   1H2*    C  16          1H2*        C  16 -14.677 -19.888   4.508
  180   2H2*    C  16          2H2*        C  16 -14.263 -18.550   3.446
  181   1H5*    T  17          1H5*        T  17 -17.178 -16.586   0.790
  182   2H5*    T  17          2H5*        T  17 -16.244 -16.246  -0.681
  183    H4*    T  17           H4*        T  17 -17.375 -14.272   0.260
  184    H3*    T  17           H3*        T  17 -14.894 -14.263  -0.852
  185   1H2*    T  17          1H2*        T  17 -13.564 -14.229   1.115
  186   2H2*    T  17          2H2*        T  17 -13.857 -12.502   0.960
  187    H1*    T  17           H1*        T  17 -15.604 -12.495   2.562
  188    H3     T  17           H3         T  17 -13.892 -13.206   6.616
  189   1H5M    T  17          1H5M        T  17 -11.544 -16.942   5.036
  190   2H5M    T  17          2H5M        T  17 -12.350 -17.322   3.496
  191   3H5M    T  17          3H5M        T  17 -13.111 -17.785   5.036
  192    H6     T  17           H6         T  17 -13.860 -15.767   2.591
  193   1H5*    G  18          1H5*        G  18 -16.620 -10.452   1.036
  194   2H5*    G  18          2H5*        G  18 -16.580  -9.174  -0.195
  195    H4*    G  18           H4*        G  18 -16.469  -8.106   1.890
  196    H3*    G  18           H3*        G  18 -14.468  -7.637   0.086
  197    H1*    G  18           H1*        G  18 -13.791  -8.218   3.885
  198    H8     G  18           H8         G  18 -12.709 -11.164   1.598
  199    H1     G  18           H1         G  18 -10.864 -11.505   7.740
  200   1H2     G  18          1H2         G  18 -11.606  -9.744   8.848
  201   2H2     G  18          2H2         G  18 -12.553  -8.490   8.076
  202   1H2*    G  18          1H2*        G  18 -12.709  -8.850   1.109
  203   2H2*    G  18          2H2*        G  18 -12.566  -7.364   2.038
  204   1H5*    T  19          1H5*        T  19 -15.691  -4.549   3.182
  205   2H5*    T  19          2H5*        T  19 -15.192  -2.847   3.081
  206    H4*    T  19           H4*        T  19 -15.282  -3.743   5.381
  207    H3*    T  19           H3*        T  19 -13.393  -2.016   4.421
  208   1H2*    T  19          1H2*        T  19 -11.572  -3.521   4.168
  209   2H2*    T  19          2H2*        T  19 -11.371  -3.151   5.877
  210    H1*    T  19           H1*        T  19 -12.492  -5.118   6.597
  211    H3     T  19           H3         T  19  -9.693  -8.490   5.838
  212   1H5M    T  19          1H5M        T  19 -11.124  -6.500   1.030
  213   2H5M    T  19          2H5M        T  19  -9.382  -6.752   1.290
  214   3H5M    T  19          3H5M        T  19 -10.482  -8.150   1.208
  215    H6     T  19           H6         T  19 -11.893  -5.401   2.943
  216   1H5*    G  20          1H5*        G  20 -12.341  -3.723   8.148
  217   2H5*    G  20          2H5*        G  20 -12.550  -2.567   9.478
  218    H4*    G  20           H4*        G  20 -10.819  -3.656  10.354
  219    H3*    G  20           H3*        G  20  -9.817  -1.364   9.173
  220    H1*    G  20           H1*        G  20  -8.188  -4.773   9.251
  221    H8     G  20           H8         G  20  -9.345  -4.101   5.597
  222    H1     G  20           H1         G  20  -5.229  -8.957   6.466
  223   1H2     G  20          1H2         G  20  -4.725  -9.131   8.611
  224   2H2     G  20          2H2         G  20  -5.398  -8.054   9.816
  225   1H2*    G  20          1H2*        G  20  -8.742  -2.448   7.328
  226   2H2*    G  20          2H2*        G  20  -7.463  -2.552   8.529
  227   1H5*    G  21          1H5*        G  21  -7.075  -5.160  10.465
  228   2H5*    G  21          2H5*        G  21  -7.248  -4.304  12.012
  229    H4*    G  21           H4*        G  21  -5.408  -5.453  12.544
  230    H3*    G  21           H3*        G  21  -4.643  -2.927  11.978
  231    H1*    G  21           H1*        G  21  -2.716  -5.955  10.401
  232    H8     G  21           H8         G  21  -4.999  -3.982   7.980
  233    H1     G  21           H1         G  21  -1.413  -8.594   5.313
  234   1H2     G  21          1H2         G  21  -0.312  -9.694   6.869
  235   2H2     G  21          2H2         G  21  -0.439  -9.289   8.566
  236   1H2*    G  21          1H2*        G  21  -3.864  -3.218   9.749
  237   2H2*    G  21          2H2*        G  21  -2.388  -3.623  10.612
  238   1H5*    C  22          1H5*        C  22  -1.654  -6.299  12.455
  239   2H5*    C  22          2H5*        C  22  -0.699  -5.861  13.886
  240    H4*    C  22           H4*        C  22   0.691  -7.286  12.708
  241    H3*    C  22           H3*        C  22   1.633  -4.770  13.049
  242    H1*    C  22           H1*        C  22   1.912  -6.574   9.651
  243   1H4     C  22          1H4         C  22  -1.092  -4.399   4.540
  244   2H4     C  22          2H4         C  22  -1.947  -3.193   5.466
  245    H5     C  22           H5         C  22  -1.748  -2.995   7.866
  246    H6     C  22           H6         C  22  -0.663  -3.890   9.854
  247   1H2*    C  22          1H2*        C  22   1.116  -3.895  10.885
  248   2H2*    C  22          2H2*        C  22   2.731  -4.526  10.585
  249   1H5*    C  23          1H5*        C  23   2.836  -7.844   9.567
  250   2H5*    C  23          2H5*        C  23   3.873  -8.363  10.913
  251    H4*    C  23           H4*        C  23   4.862  -9.431   9.154
  252    H3*    C  23           H3*        C  23   6.468  -7.599  10.221
  253    H1*    C  23           H1*        C  23   5.864  -7.378   6.319
  254   1H4     C  23          1H4         C  23   2.209  -2.630   4.275
  255   2H4     C  23          2H4         C  23   1.846  -2.118   5.907
  256    H5     C  23           H5         C  23   2.678  -3.277   7.864
  257    H6     C  23           H6         C  23   4.014  -5.161   8.651
  258   1H2*    C  23          1H2*        C  23   5.957  -5.717   8.846
  259   2H2*    C  23          2H2*        C  23   7.283  -6.405   7.917
  260   1H5*    C  24          1H5*        C  24   8.063 -10.163   6.826
  261   2H5*    C  24          2H5*        C  24   9.728 -10.738   7.061
  262    H4*    C  24           H4*        C  24   9.230 -10.548   4.710
  263    H3*    C  24           H3*        C  24  11.549  -9.679   5.686
  264    H1*    C  24           H1*        C  24   9.493  -7.273   3.464
  265   1H4     C  24          1H4         C  24   6.442  -2.293   5.860
  266   2H4     C  24          2H4         C  24   6.966  -2.664   7.489
  267    H5     C  24           H5         C  24   8.318  -4.608   8.027
  268    H6     C  24           H6         C  24   9.401  -6.596   7.115
  269   1H2*    C  24          1H2*        C  24  10.886  -7.416   6.174
  270   2H2*    C  24          2H2*        C  24  11.616  -7.229   4.586
  271   1H5*    T  25          1H5*        T  25  10.213  -9.202   1.409
  272   2H5*    T  25          2H5*        T  25  11.490  -9.428   0.196
  273    H4*    T  25           H4*        T  25   9.618  -8.094  -0.635
  274    H3*    T  25           H3*        T  25  12.250  -7.528  -1.117
  275   1H2*    T  25          1H2*        T  25  12.490  -5.721   0.435
  276   2H2*    T  25          2H2*        T  25  11.935  -4.838  -0.981
  277    H1*    T  25           H1*        T  25   9.629  -4.874  -0.254
  278    H3     T  25           H3         T  25   9.619  -1.534   2.686
  279   1H5M    T  25          1H5M        T  25  11.322  -5.413   5.582
  280   2H5M    T  25          2H5M        T  25  12.894  -5.069   4.821
  281   3H5M    T  25          3H5M        T  25  12.080  -3.815   5.787
  282    H6     T  25           H6         T  25  11.543  -5.896   2.752
  283   1H5*    G  26          1H5*        G  26   9.786  -3.582  -3.137
  284   2H5*    G  26          2H5*        G  26  10.329  -4.097  -4.747
  285    H4*    G  26           H4*        G  26  10.731  -1.869  -4.869
  286    H3*    G  26           H3*        G  26  13.096  -3.351  -4.514
  287    H1*    G  26           H1*        G  26  12.237   0.149  -2.971
  288    H8     G  26           H8         G  26  13.543  -2.545  -0.600
  289    H1     G  26           H1         G  26  11.125   2.650   2.294
  290   1H2     G  26          1H2         G  26  10.157   3.960   0.815
  291   2H2     G  26          2H2         G  26  10.105   3.567  -0.889
  292   1H2*    G  26          1H2*        G  26  13.887  -2.370  -2.544
  293   2H2*    G  26          2H2*        G  26  14.220  -0.973  -3.559
  294   1H5*    A  27          1H5*        A  27  11.683   0.705  -3.972
  295   2H5*    A  27          2H5*        A  27  11.586   0.373  -5.713
  296    H4*    A  27           H4*        A  27  10.836   2.478  -5.781
  297    H3*    A  27           H3*        A  27  13.321   2.521  -6.726
  298    H1*    A  27           H1*        A  27  12.758   4.786  -3.369
  299    H8     A  27           H8         A  27  14.399   1.291  -3.538
  300   1H6     A  27          1H6         A  27  15.366   1.989   2.531
  301   2H6     A  27          2H6         A  27  15.651   0.974   1.135
  302    H2     A  27           H2         A  27  12.967   5.503   1.089
  303   1H2*    A  27          1H2*        A  27  14.658   3.122  -4.890
  304   2H2*    A  27          2H2*        A  27  14.083   4.750  -5.223
  305   1H5*    G  28          1H5*        G  28  11.544   6.443  -6.077
  306   2H5*    G  28          2H5*        G  28  11.733   7.801  -7.205
  307    H4*    G  28           H4*        G  28  11.986   8.686  -5.049
  308    H3*    G  28           H3*        G  28  14.086   8.953  -6.839
  309    H1*    G  28           H1*        G  28  14.357   8.379  -3.074
  310    H8     G  28           H8         G  28  15.752   5.336  -5.039
  311    H1     G  28           H1         G  28  16.739   5.299   1.305
  312   1H2     G  28          1H2         G  28  15.803   7.067   2.225
  313   2H2     G  28          2H2         G  28  14.931   8.259   1.285
  314   1H2*    G  28          1H2*        G  28  15.635   7.533  -5.727
  315   2H2*    G  28          2H2*        G  28  15.920   9.009  -4.817
  316   1H5*    C  29          1H5*        C  29  13.684   9.569  -2.024
  317   2H5*    C  29          2H5*        C  29  13.268  11.205  -2.584
  318    H4*    C  29           H4*        C  29  13.759  11.458  -0.320
  319    H3*    C  29           H3*        C  29  15.202  12.937  -1.999
  320    H1*    C  29           H1*        C  29  17.245  10.653   0.561
  321   1H4     C  29          1H4         C  29  19.906   5.535  -2.040
  322   2H4     C  29          2H4         C  29  19.311   5.954  -3.630
  323    H5     C  29           H5         C  29  17.914   7.885  -4.043
  324    H6     C  29           H6         C  29  16.805   9.799  -3.017
  325   1H2*    C  29          1H2*        C  29  17.130  11.588  -2.300
  326   2H2*    C  29          2H2*        C  29  17.647  12.453  -0.858
  327   1H5*    C  30          1H5*        C  30  17.367  12.088   2.048
  328   2H5*    C  30          2H5*        C  30  16.504  13.506   2.680
  329    H4*    C  30           H4*        C  30  18.154  13.509   4.187
  330    H3*    C  30           H3*        C  30  18.707  15.480   2.500
  331    H1*    C  30           H1*        C  30  21.552  12.607   2.761
  332   1H4     C  30          1H4         C  30  21.054   8.606  -2.150
  333   2H4     C  30          2H4         C  30  20.264   9.847  -3.095
  334    H5     C  30           H5         C  30  19.627  11.993  -2.182
  335    H6     C  30           H6         C  30  19.631  13.390  -0.185
  336    H3T    C  30           H3T        C  30  20.582  14.554   4.423
  337   1H2*    C  30          1H2*        C  30  20.128  14.464   0.916
  338   2H2*    C  30          2H2*        C  30  21.364  14.806   2.119
  339   1H    ASP  10          1H        ASP  10  -3.867  11.882   9.452
  340    HA   ASP  10           HA       ASP  10  -4.189  14.646   9.061
  341   1HB   ASP  10          1HB       ASP  10  -2.969  12.507   7.333
  342   2HB   ASP  10          2HB       ASP  10  -3.006  14.198   6.846
  343    H    GLU  11           H        GLU  11  -4.798  12.287   6.565
  344    HA   GLU  11           HA       GLU  11  -7.125  13.877   5.711
  345   1HB   GLU  11          1HB       GLU  11  -5.404  12.169   3.916
  346   2HB   GLU  11          2HB       GLU  11  -6.584  13.371   3.439
  347   1HG   GLU  11          1HG       GLU  11  -4.003  13.976   4.843
  348   2HG   GLU  11          2HG       GLU  11  -4.265  14.077   3.107
  349    H    LEU  12           H        LEU  12  -8.918  12.701   4.852
  350    HA   LEU  12           HA       LEU  12  -8.893   9.837   5.439
  351   1HB   LEU  12          1HB       LEU  12 -11.143  11.825   5.262
  352   2HB   LEU  12          2HB       LEU  12 -11.421  10.094   5.247
  353    HG   LEU  12           HG       LEU  12 -10.055  10.074   7.423
  354   1HD1  LEU  12          1HD1      LEU  12  -9.211  12.328   7.329
  355   2HD1  LEU  12          2HD1      LEU  12 -10.196  12.083   8.770
  356   3HD1  LEU  12          3HD1      LEU  12 -10.855  12.965   7.390
  357   1HD2  LEU  12          1HD2      LEU  12 -12.421   9.552   7.304
  358   2HD2  LEU  12          2HD2      LEU  12 -12.815  11.271   7.342
  359   3HD2  LEU  12          3HD2      LEU  12 -12.069  10.505   8.745
  360    H    CYS  13           H        CYS  13  -9.577   8.366   3.959
  361    HA   CYS  13           HA       CYS  13  -8.787   8.813   1.311
  362   1HB   CYS  13          1HB       CYS  13 -10.596   6.591   2.262
  363   2HB   CYS  13          2HB       CYS  13  -9.497   6.565   0.887
  364    HG   CYS  13           HG       CYS  13  -8.613   6.570   4.195
  365    HA   PRO  14           HA       PRO  14 -12.512  10.637  -0.321
  366   1HB   PRO  14          1HB       PRO  14 -11.779  10.586  -2.929
  367   2HB   PRO  14          2HB       PRO  14 -11.111  11.747  -1.776
  368   1HG   PRO  14          1HG       PRO  14  -9.939   9.167  -2.757
  369   2HG   PRO  14          2HG       PRO  14  -9.151  10.744  -2.567
  370   1HD   PRO  14          1HD       PRO  14  -8.880   8.778  -0.745
  371   2HD   PRO  14          2HD       PRO  14  -8.913  10.493  -0.285
  372    H    VAL  15           H        VAL  15 -11.534   7.467  -0.557
  373    HA   VAL  15           HA       VAL  15 -13.730   6.695  -2.339
  374    HB   VAL  15           HB       VAL  15 -11.553   4.943  -1.182
  375   1HG1  VAL  15          1HG1      VAL  15 -13.560   3.693  -1.711
  376   2HG1  VAL  15          2HG1      VAL  15 -12.296   3.331  -2.887
  377   3HG1  VAL  15          3HG1      VAL  15 -13.616   4.423  -3.317
  378   1HG2  VAL  15          1HG2      VAL  15 -10.617   6.590  -2.699
  379   2HG2  VAL  15          2HG2      VAL  15 -11.806   6.154  -3.926
  380   3HG2  VAL  15          3HG2      VAL  15 -10.583   4.984  -3.428
  381    H    CYS  16           H        CYS  16 -12.329   5.329   0.652
  382    HA   CYS  16           HA       CYS  16 -14.877   4.156   1.311
  383   1HB   CYS  16          1HB       CYS  16 -13.622   3.205   3.249
  384   2HB   CYS  16          2HB       CYS  16 -12.903   2.832   1.685
  385    HG   CYS  16           HG       CYS  16 -11.321   3.840   4.196
  386    H    GLY  17           H        GLY  17 -13.384   7.111   1.952
  387   1HA   GLY  17          1HA       GLY  17 -13.955   8.860   3.325
  388   2HA   GLY  17          2HA       GLY  17 -15.441   7.988   3.683
  389    H    ASP  18           H        ASP  18 -12.120   6.930   4.277
  390    HA   ASP  18           HA       ASP  18 -12.519   7.354   7.147
  391   1HB   ASP  18          1HB       ASP  18 -12.952   4.887   6.227
  392   2HB   ASP  18          2HB       ASP  18 -11.195   4.810   6.322
  393    H    LYS  19           H        LYS  19 -10.375   6.907   8.309
  394    HA   LYS  19           HA       LYS  19  -8.601   8.881   7.418
  395   1HB   LYS  19          1HB       LYS  19  -7.974   6.652   9.356
  396   2HB   LYS  19          2HB       LYS  19  -7.226   8.242   9.286
  397   1HG   LYS  19          1HG       LYS  19  -9.176   9.304  10.085
  398   2HG   LYS  19          2HG       LYS  19 -10.153   7.855   9.838
  399   1HD   LYS  19          1HD       LYS  19  -7.922   8.196  11.841
  400   2HD   LYS  19          2HD       LYS  19  -9.650   8.138  12.196
  401   1HE   LYS  19          1HE       LYS  19  -8.045   5.910  10.952
  402   2HE   LYS  19          2HE       LYS  19  -8.512   5.998  12.648
  403   1HZ   LYS  19          1HZ       LYS  19 -10.312   5.701  10.297
  404   2HZ   LYS  19          2HZ       LYS  19 -10.868   6.035  11.863
  405   3HZ   LYS  19          3HZ       LYS  19 -10.048   4.585  11.548
  406    H    VAL  20           H        VAL  20  -6.537   8.807   6.522
  407    HA   VAL  20           HA       VAL  20  -6.053   6.475   4.848
  408    HB   VAL  20           HB       VAL  20  -4.426   7.820   3.667
  409   1HG1  VAL  20          1HG1      VAL  20  -6.938   9.384   4.233
  410   2HG1  VAL  20          2HG1      VAL  20  -6.751   8.100   3.037
  411   3HG1  VAL  20          3HG1      VAL  20  -5.872   9.618   2.848
  412   1HG2  VAL  20          1HG2      VAL  20  -4.933   9.944   5.749
  413   2HG2  VAL  20          2HG2      VAL  20  -3.960  10.145   4.292
  414   3HG2  VAL  20          3HG2      VAL  20  -3.446   9.017   5.547
  415    H    SER  21           H        SER  21  -3.848   5.657   4.580
  416    HA   SER  21           HA       SER  21  -2.383   5.580   7.122
  417   1HB   SER  21          1HB       SER  21  -3.007   3.397   6.157
  418   2HB   SER  21          2HB       SER  21  -2.160   3.808   4.668
  419    HG   SER  21           HG       SER  21  -0.364   4.170   6.457
  420    H    GLY  22           H        GLY  22  -2.454   7.297   4.363
  421   1HA   GLY  22          1HA       GLY  22  -0.858   9.014   3.927
  422   2HA   GLY  22          2HA       GLY  22   0.396   7.963   4.571
  423    H    TYR  23           H        TYR  23  -1.362   8.932   1.796
  424    HA   TYR  23           HA       TYR  23  -1.125   8.533  -0.427
  425   1HB   TYR  23          1HB       TYR  23   1.622   7.651   0.470
  426   2HB   TYR  23          2HB       TYR  23   1.164   7.981  -1.200
  427    HD1  TYR  23           HD1      TYR  23   0.300  10.333  -1.743
  428    HD2  TYR  23           HD2      TYR  23   2.370   9.389   1.853
  429    HE1  TYR  23           HE1      TYR  23   0.787  12.719  -1.400
  430    HE2  TYR  23           HE2      TYR  23   2.862  11.773   2.198
  431    HH   TYR  23           HH       TYR  23   1.263  14.201   0.635
  432    H    HIS  24           H        HIS  24   0.449   6.531  -1.688
  433    HA   HIS  24           HA       HIS  24   0.922   4.124  -1.411
  434   1HB   HIS  24          1HB       HIS  24  -2.031   4.047  -0.788
  435   2HB   HIS  24          2HB       HIS  24  -1.153   2.637  -1.363
  436    HD1  HIS  24           HD1      HIS  24   1.382   3.728   0.592
  437    HD2  HIS  24           HD2      HIS  24  -2.479   2.554   1.591
  438    HE1  HIS  24           HE1      HIS  24   1.491   3.014   3.002
  439    HE2  HIS  24           HE2      HIS  24  -0.806   2.087   3.504
  440    H    TYR  25           H        TYR  25  -1.477   6.057  -2.920
  441    HA   TYR  25           HA       TYR  25  -0.769   4.901  -5.508
  442   1HB   TYR  25          1HB       TYR  25  -3.596   5.378  -4.513
  443   2HB   TYR  25          2HB       TYR  25  -3.192   5.098  -6.204
  444    HD1  TYR  25           HD1      TYR  25  -3.487   3.556  -2.886
  445    HD2  TYR  25           HD2      TYR  25  -2.513   2.901  -6.972
  446    HE1  TYR  25           HE1      TYR  25  -3.603   1.126  -2.518
  447    HE2  TYR  25           HE2      TYR  25  -2.628   0.472  -6.619
  448    HH   TYR  25           HH       TYR  25  -2.446  -1.133  -4.808
  449    H    GLY  26           H        GLY  26  -2.806   6.683  -6.777
  450   1HA   GLY  26          1HA       GLY  26  -1.140   9.014  -6.931
  451   2HA   GLY  26          2HA       GLY  26  -2.643   8.753  -7.800
  452    H    LEU  27           H        LEU  27  -2.327   8.562  -4.325
  453    HA   LEU  27           HA       LEU  27  -2.997  11.105  -3.510
  454   1HB   LEU  27          1HB       LEU  27  -5.417  10.890  -3.032
  455   2HB   LEU  27          2HB       LEU  27  -5.066  10.939  -4.748
  456    HG   LEU  27           HG       LEU  27  -5.102   8.239  -4.211
  457   1HD1  LEU  27          1HD1      LEU  27  -7.308   9.565  -2.649
  458   2HD1  LEU  27          2HD1      LEU  27  -5.983   8.611  -1.978
  459   3HD1  LEU  27          3HD1      LEU  27  -7.191   7.843  -3.011
  460   1HD2  LEU  27          1HD2      LEU  27  -7.172   8.247  -5.452
  461   2HD2  LEU  27          2HD2      LEU  27  -6.049   9.419  -6.141
  462   3HD2  LEU  27          3HD2      LEU  27  -7.387   9.968  -5.131
  463    H    LEU  28           H        LEU  28  -4.385  10.818  -1.265
  464    HA   LEU  28           HA       LEU  28  -2.756   8.919   0.201
  465   1HB   LEU  28          1HB       LEU  28  -4.640  11.079   1.116
  466   2HB   LEU  28          2HB       LEU  28  -3.823   9.986   2.218
  467    HG   LEU  28           HG       LEU  28  -1.645  10.836   1.119
  468   1HD1  LEU  28          1HD1      LEU  28  -2.700  11.976  -0.766
  469   2HD1  LEU  28          2HD1      LEU  28  -1.748  13.089   0.219
  470   3HD1  LEU  28          3HD1      LEU  28  -3.507  13.077   0.352
  471   1HD2  LEU  28          1HD2      LEU  28  -1.557  12.735   2.657
  472   2HD2  LEU  28          2HD2      LEU  28  -2.277  11.312   3.411
  473   3HD2  LEU  28          3HD2      LEU  28  -3.305  12.640   2.869
  474    H    THR  29           H        THR  29  -3.378   6.967   0.700
  475    HA   THR  29           HA       THR  29  -6.260   6.404   0.918
  476    HB   THR  29           HB       THR  29  -5.975   4.301  -0.231
  477    HG1  THR  29           HG1      THR  29  -3.221   4.977  -0.088
  478   1HG2  THR  29          1HG2      THR  29  -6.226   6.344  -1.654
  479   2HG2  THR  29          2HG2      THR  29  -5.387   5.015  -2.457
  480   3HG2  THR  29          3HG2      THR  29  -4.467   6.382  -1.821
  481    H    CYS  30           H        CYS  30  -6.569   4.186   2.028
  482    HA   CYS  30           HA       CYS  30  -4.624   3.927   4.222
  483   1HB   CYS  30          1HB       CYS  30  -6.491   2.917   5.508
  484   2HB   CYS  30          2HB       CYS  30  -6.838   4.568   5.005
  485    HG   CYS  30           HG       CYS  30  -8.836   4.061   3.385
  486    H    GLU  31           H        GLU  31  -4.921   1.542   5.214
  487    HA   GLU  31           HA       GLU  31  -3.915  -0.245   3.264
  488   1HB   GLU  31          1HB       GLU  31  -4.984  -0.781   6.041
  489   2HB   GLU  31          2HB       GLU  31  -4.158  -1.975   5.048
  490   1HG   GLU  31          1HG       GLU  31  -3.026   0.556   6.207
  491   2HG   GLU  31          2HG       GLU  31  -2.573  -1.109   6.582
  492    H    SER  32           H        SER  32  -7.110   0.466   4.400
  493    HA   SER  32           HA       SER  32  -8.384  -1.894   3.483
  494   1HB   SER  32          1HB       SER  32  -9.351  -0.277   5.142
  495   2HB   SER  32          2HB       SER  32  -9.606   0.857   3.819
  496    HG   SER  32           HG       SER  32 -11.357  -0.741   4.558
  497    H    CYS  33           H        CYS  33  -7.724   1.257   1.999
  498    HA   CYS  33           HA       CYS  33  -9.108   0.747  -0.424
  499   1HB   CYS  33          1HB       CYS  33  -6.806   2.623   0.155
  500   2HB   CYS  33          2HB       CYS  33  -7.736   2.614  -1.339
  501    HG   CYS  33           HG       CYS  33  -9.429   4.333  -0.516
  502    H    LYS  34           H        LYS  34  -5.661   0.578   0.429
  503    HA   LYS  34           HA       LYS  34  -4.760  -0.403  -2.038
  504   1HB   LYS  34          1HB       LYS  34  -3.213   0.555  -0.460
  505   2HB   LYS  34          2HB       LYS  34  -3.607  -0.662   0.743
  506   1HG   LYS  34          1HG       LYS  34  -2.489  -2.357  -0.463
  507   2HG   LYS  34          2HG       LYS  34  -2.360  -1.347  -1.903
  508   1HD   LYS  34          1HD       LYS  34  -0.224  -1.526  -0.688
  509   2HD   LYS  34          2HD       LYS  34  -0.815   0.133  -0.767
  510   1HE   LYS  34          1HE       LYS  34   0.046  -0.315   1.438
  511   2HE   LYS  34          2HE       LYS  34  -1.701  -0.101   1.520
  512   1HZ   LYS  34          1HZ       LYS  34  -1.062  -1.941   2.883
  513   2HZ   LYS  34          2HZ       LYS  34  -0.223  -2.672   1.604
  514   3HZ   LYS  34          3HZ       LYS  34  -1.906  -2.543   1.540
  515    H    GLY  35           H        GLY  35  -5.946  -2.055   0.837
  516   1HA   GLY  35          1HA       GLY  35  -5.300  -4.683   0.084
  517   2HA   GLY  35          2HA       GLY  35  -6.584  -4.224   1.193
  518    H    PHE  36           H        PHE  36  -8.426  -2.980  -0.230
  519    HA   PHE  36           HA       PHE  36  -9.689  -5.096  -1.606
  520   1HB   PHE  36          1HB       PHE  36 -11.021  -3.427  -0.476
  521   2HB   PHE  36          2HB       PHE  36 -10.362  -2.149  -1.494
  522    HD1  PHE  36           HD1      PHE  36 -12.444  -5.213  -1.551
  523    HD2  PHE  36           HD2      PHE  36 -11.352  -1.615  -3.546
  524    HE1  PHE  36           HE1      PHE  36 -14.272  -5.554  -3.161
  525    HE2  PHE  36           HE2      PHE  36 -13.180  -1.950  -5.158
  526    HZ   PHE  36           HZ       PHE  36 -14.641  -3.921  -4.966
  527    H    PHE  37           H        PHE  37  -7.951  -2.246  -2.738
  528    HA   PHE  37           HA       PHE  37  -8.604  -2.388  -5.449
  529   1HB   PHE  37          1HB       PHE  37  -7.274  -0.594  -4.113
  530   2HB   PHE  37          2HB       PHE  37  -5.869  -1.581  -4.497
  531    HD1  PHE  37           HD1      PHE  37  -8.517   0.541  -5.862
  532    HD2  PHE  37           HD2      PHE  37  -4.976  -1.653  -6.726
  533    HE1  PHE  37           HE1      PHE  37  -8.353   1.674  -8.036
  534    HE2  PHE  37           HE2      PHE  37  -4.805  -0.522  -8.906
  535    HZ   PHE  37           HZ       PHE  37  -6.499   1.145  -9.559
  536    H    LYS  38           H        LYS  38  -5.801  -3.715  -3.724
  537    HA   LYS  38           HA       LYS  38  -4.714  -5.155  -5.878
  538   1HB   LYS  38          1HB       LYS  38  -4.496  -5.469  -2.891
  539   2HB   LYS  38          2HB       LYS  38  -3.637  -6.522  -4.004
  540   1HG   LYS  38          1HG       LYS  38  -2.394  -4.679  -4.888
  541   2HG   LYS  38          2HG       LYS  38  -3.363  -3.525  -3.969
  542   1HD   LYS  38          1HD       LYS  38  -1.103  -4.060  -2.992
  543   2HD   LYS  38          2HD       LYS  38  -2.472  -4.291  -1.904
  544   1HE   LYS  38          1HE       LYS  38  -0.958  -6.158  -1.693
  545   2HE   LYS  38          2HE       LYS  38  -2.459  -6.697  -2.451
  546   1HZ   LYS  38          1HZ       LYS  38   0.097  -6.109  -3.843
  547   2HZ   LYS  38          2HZ       LYS  38  -1.343  -6.539  -4.610
  548   3HZ   LYS  38          3HZ       LYS  38  -0.572  -7.644  -3.584
  549    H    ARG  39           H        ARG  39  -7.036  -6.093  -3.359
  550    HA   ARG  39           HA       ARG  39  -7.327  -8.785  -3.855
  551   1HB   ARG  39          1HB       ARG  39  -9.409  -6.717  -3.172
  552   2HB   ARG  39          2HB       ARG  39  -9.796  -8.424  -3.298
  553   1HG   ARG  39          1HG       ARG  39  -7.759  -7.260  -1.417
  554   2HG   ARG  39          2HG       ARG  39  -9.420  -7.668  -0.987
  555   1HD   ARG  39          1HD       ARG  39  -8.914 -10.016  -1.762
  556   2HD   ARG  39          2HD       ARG  39  -7.221  -9.530  -1.848
  557    HE   ARG  39           HE       ARG  39  -8.142  -8.845   0.680
  558   1HH1  ARG  39          1HH1      ARG  39  -7.611 -11.752  -1.193
  559   2HH1  ARG  39          2HH1      ARG  39  -7.352 -12.760   0.201
  560   1HH2  ARG  39          1HH2      ARG  39  -7.843 -10.171   2.519
  561   2HH2  ARG  39          2HH2      ARG  39  -7.520 -11.868   2.313
  562    H    THR  40           H        THR  40  -8.984  -6.133  -5.534
  563    HA   THR  40           HA       THR  40 -10.443  -7.787  -7.294
  564    HB   THR  40           HB       THR  40  -9.596  -4.932  -7.813
  565    HG1  THR  40           HG1      THR  40 -10.565  -4.831  -5.842
  566   1HG2  THR  40          1HG2      THR  40 -12.028  -6.511  -8.669
  567   2HG2  THR  40          2HG2      THR  40 -10.669  -6.064  -9.702
  568   3HG2  THR  40          3HG2      THR  40 -11.720  -4.813  -9.036
  569    H    VAL  41           H        VAL  41  -7.545  -5.799  -7.885
  570    HA   VAL  41           HA       VAL  41  -7.235  -6.583 -10.563
  571    HB   VAL  41           HB       VAL  41  -4.934  -5.606 -10.361
  572   1HG1  VAL  41          1HG1      VAL  41  -7.245  -3.952  -9.352
  573   2HG1  VAL  41          2HG1      VAL  41  -6.820  -4.236 -11.041
  574   3HG1  VAL  41          3HG1      VAL  41  -5.736  -3.311 -10.001
  575   1HG2  VAL  41          1HG2      VAL  41  -4.398  -4.395  -8.309
  576   2HG2  VAL  41          2HG2      VAL  41  -4.506  -6.135  -8.041
  577   3HG2  VAL  41          3HG2      VAL  41  -5.827  -5.081  -7.539
  578    H    GLN  42           H        GLN  42  -5.615  -7.802  -7.635
  579    HA   GLN  42           HA       GLN  42  -3.752  -9.357  -9.185
  580   1HB   GLN  42          1HB       GLN  42  -4.317  -9.285  -6.228
  581   2HB   GLN  42          2HB       GLN  42  -3.052 -10.244  -6.973
  582   1HG   GLN  42          1HG       GLN  42  -3.284  -7.245  -6.970
  583   2HG   GLN  42          2HG       GLN  42  -2.121  -8.215  -6.070
  584   1HE2  GLN  42          1HE2      GLN  42  -0.408  -9.176  -7.163
  585   2HE2  GLN  42          2HE2      GLN  42   0.072  -8.649  -8.739
  586    H    ASN  43           H        ASN  43  -6.685  -9.976  -7.412
  587    HA   ASN  43           HA       ASN  43  -6.456 -12.844  -7.688
  588   1HB   ASN  43          1HB       ASN  43  -8.625 -11.053  -6.585
  589   2HB   ASN  43          2HB       ASN  43  -8.847 -12.787  -6.775
  590   1HD2  ASN  43          1HD2      ASN  43  -5.742 -11.494  -5.914
  591   2HD2  ASN  43          2HD2      ASN  43  -5.746 -12.031  -4.268
  592    H    ASN  44           H        ASN  44  -7.229 -10.303  -9.609
  593    HA   ASN  44           HA       ASN  44  -8.011 -10.129 -11.722
  594   1HB   ASN  44          1HB       ASN  44  -7.879 -13.152 -11.610
  595   2HB   ASN  44          2HB       ASN  44  -8.055 -12.189 -13.067
  596   1HD2  ASN  44          1HD2      ASN  44  -5.928 -14.046 -11.977
  597   2HD2  ASN  44          2HD2      ASN  44  -4.468 -13.142 -12.131
  598    H    LYS  45           H        LYS  45  -9.821  -9.886  -9.712
  599    HA   LYS  45           HA       LYS  45 -12.122 -11.567 -10.315
  600   1HB   LYS  45          1HB       LYS  45 -11.546  -9.585  -8.128
  601   2HB   LYS  45          2HB       LYS  45 -13.121 -10.327  -8.354
  602   1HG   LYS  45          1HG       LYS  45 -12.050 -12.549  -8.105
  603   2HG   LYS  45          2HG       LYS  45 -10.528 -11.732  -7.750
  604   1HD   LYS  45          1HD       LYS  45 -11.563 -10.648  -5.818
  605   2HD   LYS  45          2HD       LYS  45 -13.086 -11.462  -6.177
  606   1HE   LYS  45          1HE       LYS  45 -10.477 -12.748  -5.392
  607   2HE   LYS  45          2HE       LYS  45 -11.950 -12.660  -4.428
  608   1HZ   LYS  45          1HZ       LYS  45 -13.034 -13.954  -6.278
  609   2HZ   LYS  45          2HZ       LYS  45 -11.906 -14.804  -5.347
  610   3HZ   LYS  45          3HZ       LYS  45 -11.477 -14.243  -6.891
  611    H    HIS  46           H        HIS  46 -14.213 -10.656 -10.577
  612    HA   HIS  46           HA       HIS  46 -14.218  -7.950 -11.737
  613   1HB   HIS  46          1HB       HIS  46 -15.590 -10.394 -12.888
  614   2HB   HIS  46          2HB       HIS  46 -15.780  -8.749 -13.487
  615    HD1  HIS  46           HD1      HIS  46 -14.405 -11.454 -14.835
  616    HD2  HIS  46           HD2      HIS  46 -12.586  -7.951 -13.530
  617    HE1  HIS  46           HE1      HIS  46 -12.258 -11.275 -16.141
  618    HE2  HIS  46           HE2      HIS  46 -11.286  -9.038 -15.491
  619    H    TYR  47           H        TYR  47 -15.221  -6.970 -10.067
  620    HA   TYR  47           HA       TYR  47 -17.430  -8.241  -8.718
  621   1HB   TYR  47          1HB       TYR  47 -16.096  -5.560  -8.338
  622   2HB   TYR  47          2HB       TYR  47 -17.449  -6.122  -7.364
  623    HD1  TYR  47           HD1      TYR  47 -17.084  -8.501  -6.253
  624    HD2  TYR  47           HD2      TYR  47 -13.955  -5.933  -7.561
  625    HE1  TYR  47           HE1      TYR  47 -15.525  -9.628  -4.720
  626    HE2  TYR  47           HE2      TYR  47 -12.388  -7.055  -6.036
  627    HH   TYR  47           HH       TYR  47 -12.493  -8.367  -3.939
  628    H    THR  48           H        THR  48 -19.451  -7.145  -8.346
  629    HA   THR  48           HA       THR  48 -20.295  -5.252 -10.400
  630    HB   THR  48           HB       THR  48 -20.789  -7.469 -11.359
  631    HG1  THR  48           HG1      THR  48 -22.461  -6.442 -12.129
  632   1HG2  THR  48          1HG2      THR  48 -22.493  -7.873  -8.899
  633   2HG2  THR  48          2HG2      THR  48 -21.016  -8.752  -9.297
  634   3HG2  THR  48          3HG2      THR  48 -22.451  -8.937 -10.306
  635    H    CYS  49           H        CYS  49 -22.905  -4.997  -9.849
  636    HA   CYS  49           HA       CYS  49 -23.144  -4.747  -6.937
  637   1HB   CYS  49          1HB       CYS  49 -22.390  -2.565  -7.772
  638   2HB   CYS  49          2HB       CYS  49 -23.724  -2.536  -8.921
  639    HG   CYS  49           HG       CYS  49 -24.296  -2.684  -5.556
  640    H    THR  50           H        THR  50 -25.264  -4.849  -6.158
  641    HA   THR  50           HA       THR  50 -27.102  -6.161  -7.990
  642    HB   THR  50           HB       THR  50 -28.452  -6.583  -5.919
  643    HG1  THR  50           HG1      THR  50 -27.902  -5.081  -4.447
  644   1HG2  THR  50          1HG2      THR  50 -25.563  -7.461  -5.821
  645   2HG2  THR  50          2HG2      THR  50 -26.852  -8.242  -6.738
  646   3HG2  THR  50          3HG2      THR  50 -26.903  -8.234  -4.975
  647    H    GLU  51           H        GLU  51 -26.637  -3.049  -6.652
  648    HA   GLU  51           HA       GLU  51 -29.472  -2.396  -6.754
  649   1HB   GLU  51          1HB       GLU  51 -27.193  -0.553  -6.032
  650   2HB   GLU  51          2HB       GLU  51 -28.905  -0.298  -5.729
  651   1HG   GLU  51          1HG       GLU  51 -27.069  -2.275  -4.414
  652   2HG   GLU  51          2HG       GLU  51 -27.908  -0.911  -3.679
  653    H    SER  52           H        SER  52 -26.980  -0.094  -7.632
  654    HA   SER  52           HA       SER  52 -28.281   0.165 -10.261
  655   1HB   SER  52          1HB       SER  52 -27.749   2.647  -9.971
  656   2HB   SER  52          2HB       SER  52 -29.027   1.994  -8.945
  657    HG   SER  52           HG       SER  52 -27.463   3.313  -7.811
  658    H    GLN  53           H        GLN  53 -25.466  -0.635  -8.789
  659    HA   GLN  53           HA       GLN  53 -23.330  -0.926  -9.470
  660   1HB   GLN  53          1HB       GLN  53 -24.400   0.093 -12.091
  661   2HB   GLN  53          2HB       GLN  53 -22.712  -0.341 -11.861
  662   1HG   GLN  53          1HG       GLN  53 -23.372  -2.613 -11.270
  663   2HG   GLN  53          2HG       GLN  53 -25.068  -2.180 -11.494
  664   1HE2  GLN  53          1HE2      GLN  53 -22.554  -0.921 -13.533
  665   2HE2  GLN  53          2HE2      GLN  53 -22.988  -1.803 -14.956
  666    H    SER  54           H        SER  54 -24.715   2.210 -10.334
  667    HA   SER  54           HA       SER  54 -22.211   3.474  -9.487
  668   1HB   SER  54          1HB       SER  54 -24.640   4.714 -10.811
  669   2HB   SER  54          2HB       SER  54 -23.118   5.534 -10.461
  670    HG   SER  54           HG       SER  54 -22.659   3.269 -11.843
  671    H    CYS  55           H        CYS  55 -22.746   2.703  -7.312
  672    HA   CYS  55           HA       CYS  55 -24.897   4.178  -5.981
  673   1HB   CYS  55          1HB       CYS  55 -23.198   1.906  -4.928
  674   2HB   CYS  55          2HB       CYS  55 -24.623   2.592  -4.155
  675    HG   CYS  55           HG       CYS  55 -26.088   1.847  -6.683
  676    H    LYS  56           H        LYS  56 -24.332   4.821  -3.654
  677    HA   LYS  56           HA       LYS  56 -21.948   6.482  -3.779
  678   1HB   LYS  56          1HB       LYS  56 -24.077   7.495  -3.090
  679   2HB   LYS  56          2HB       LYS  56 -24.196   6.354  -1.757
  680   1HG   LYS  56          1HG       LYS  56 -22.100   7.299  -0.840
  681   2HG   LYS  56          2HG       LYS  56 -22.147   8.524  -2.110
  682   1HD   LYS  56          1HD       LYS  56 -24.312   9.299  -1.290
  683   2HD   LYS  56          2HD       LYS  56 -24.285   8.062  -0.032
  684   1HE   LYS  56          1HE       LYS  56 -22.205   9.074   0.850
  685   2HE   LYS  56          2HE       LYS  56 -22.359  10.357  -0.348
  686   1HZ   LYS  56          1HZ       LYS  56 -24.296   9.739   1.818
  687   2HZ   LYS  56          2HZ       LYS  56 -24.504  10.942   0.640
  688   3HZ   LYS  56          3HZ       LYS  56 -23.238  11.066   1.765
  689    H    ILE  57           H        ILE  57 -20.265   6.371  -2.306
  690    HA   ILE  57           HA       ILE  57 -20.102   3.832  -0.847
  691    HB   ILE  57           HB       ILE  57 -17.863   5.717  -1.613
  692   1HG1  ILE  57          1HG1      ILE  57 -18.924   4.680  -3.576
  693   2HG1  ILE  57          2HG1      ILE  57 -17.300   4.052  -3.325
  694   1HG2  ILE  57          1HG2      ILE  57 -16.389   3.862  -0.998
  695   2HG2  ILE  57          2HG2      ILE  57 -17.790   2.912  -0.501
  696   3HG2  ILE  57          3HG2      ILE  57 -17.368   4.384   0.374
  697   1HD1  ILE  57          1HD1      ILE  57 -19.865   2.676  -2.554
  698   2HD1  ILE  57          2HD1      ILE  57 -18.238   2.039  -2.311
  699   3HD1  ILE  57          3HD1      ILE  57 -18.854   2.288  -3.946
  700    H    ASP  58           H        ASP  58 -20.766   4.048   1.150
  701    HA   ASP  58           HA       ASP  58 -19.802   6.322   2.755
  702   1HB   ASP  58          1HB       ASP  58 -22.251   6.468   2.262
  703   2HB   ASP  58          2HB       ASP  58 -22.467   4.904   3.036
  704    H    LYS  59           H        LYS  59 -20.266   5.586   5.231
  705    HA   LYS  59           HA       LYS  59 -18.336   3.654   5.806
  706   1HB   LYS  59          1HB       LYS  59 -19.012   5.400   7.384
  707   2HB   LYS  59          2HB       LYS  59 -20.601   4.667   7.537
  708   1HG   LYS  59          1HG       LYS  59 -19.613   2.696   8.564
  709   2HG   LYS  59          2HG       LYS  59 -18.002   3.391   8.371
  710   1HD   LYS  59          1HD       LYS  59 -18.798   3.710  10.648
  711   2HD   LYS  59          2HD       LYS  59 -18.647   5.263   9.826
  712   1HE   LYS  59          1HE       LYS  59 -20.695   5.290  11.044
  713   2HE   LYS  59          2HE       LYS  59 -21.097   5.147   9.334
  714   1HZ   LYS  59          1HZ       LYS  59 -21.142   2.997  11.381
  715   2HZ   LYS  59          2HZ       LYS  59 -21.293   2.701   9.721
  716   3HZ   LYS  59          3HZ       LYS  59 -22.459   3.633  10.523
  717    H    THR  60           H        THR  60 -21.818   3.383   5.458
  718    HA   THR  60           HA       THR  60 -21.885   0.646   6.374
  719    HB   THR  60           HB       THR  60 -24.304   0.817   5.598
  720    HG1  THR  60           HG1      THR  60 -24.994   2.675   4.761
  721   1HG2  THR  60          1HG2      THR  60 -23.285   2.838   7.598
  722   2HG2  THR  60          2HG2      THR  60 -23.666   1.148   7.930
  723   3HG2  THR  60          3HG2      THR  60 -24.950   2.270   7.475
  724    H    GLN  61           H        GLN  61 -21.559   2.295   3.342
  725    HA   GLN  61           HA       GLN  61 -22.486  -0.071   1.875
  726   1HB   GLN  61          1HB       GLN  61 -22.229   2.817   1.059
  727   2HB   GLN  61          2HB       GLN  61 -22.626   1.526  -0.068
  728   1HG   GLN  61          1HG       GLN  61 -24.665   1.065   1.037
  729   2HG   GLN  61          2HG       GLN  61 -24.223   2.075   2.411
  730   1HE2  GLN  61          1HE2      GLN  61 -24.405   4.273   2.265
  731   2HE2  GLN  61          2HE2      GLN  61 -25.275   5.061   0.999
  732    H    ARG  62           H        ARG  62 -19.608   1.422   2.758
  733    HA   ARG  62           HA       ARG  62 -18.148   1.024   0.347
  734   1HB   ARG  62          1HB       ARG  62 -16.154   1.461   1.674
  735   2HB   ARG  62          2HB       ARG  62 -17.410   2.635   2.022
  736   1HG   ARG  62          1HG       ARG  62 -17.968   1.253   4.061
  737   2HG   ARG  62          2HG       ARG  62 -16.479   0.355   3.744
  738   1HD   ARG  62          1HD       ARG  62 -15.287   2.576   3.729
  739   2HD   ARG  62          2HD       ARG  62 -16.777   3.292   4.334
  740    HE   ARG  62           HE       ARG  62 -15.948   1.104   5.960
  741   1HH1  ARG  62          1HH1      ARG  62 -15.349   4.499   5.285
  742   2HH1  ARG  62          2HH1      ARG  62 -14.609   4.798   6.831
  743   1HH2  ARG  62          1HH2      ARG  62 -14.963   1.521   7.994
  744   2HH2  ARG  62          2HH2      ARG  62 -14.367   3.120   8.352
  745    H    LYS  63           H        LYS  63 -19.086  -1.061   2.916
  746    HA   LYS  63           HA       LYS  63 -17.317  -3.174   1.937
  747   1HB   LYS  63          1HB       LYS  63 -18.243  -4.516   3.807
  748   2HB   LYS  63          2HB       LYS  63 -17.467  -3.033   4.340
  749   1HG   LYS  63          1HG       LYS  63 -19.563  -1.990   4.756
  750   2HG   LYS  63          2HG       LYS  63 -20.439  -3.304   3.968
  751   1HD   LYS  63          1HD       LYS  63 -20.541  -3.437   6.431
  752   2HD   LYS  63          2HD       LYS  63 -19.767  -4.846   5.706
  753   1HE   LYS  63          1HE       LYS  63 -17.561  -3.804   6.183
  754   2HE   LYS  63          2HE       LYS  63 -18.402  -2.507   7.030
  755   1HZ   LYS  63          1HZ       LYS  63 -17.578  -4.238   8.531
  756   2HZ   LYS  63          2HZ       LYS  63 -18.555  -5.383   7.747
  757   3HZ   LYS  63          3HZ       LYS  63 -19.269  -4.099   8.593
  758    H    ARG  64           H        ARG  64 -20.236  -1.890   1.139
  759    HA   ARG  64           HA       ARG  64 -21.641  -4.410   0.741
  760   1HB   ARG  64          1HB       ARG  64 -22.450  -1.530   0.473
  761   2HB   ARG  64          2HB       ARG  64 -23.458  -2.831  -0.143
  762   1HG   ARG  64          1HG       ARG  64 -23.567  -3.793   2.109
  763   2HG   ARG  64          2HG       ARG  64 -22.599  -2.446   2.714
  764   1HD   ARG  64          1HD       ARG  64 -25.063  -2.191   3.047
  765   2HD   ARG  64          2HD       ARG  64 -24.298  -0.875   2.159
  766    HE   ARG  64           HE       ARG  64 -25.340  -2.896   0.422
  767   1HH1  ARG  64          1HH1      ARG  64 -26.239  -0.131   2.368
  768   2HH1  ARG  64          2HH1      ARG  64 -27.593   0.295   1.370
  769   1HH2  ARG  64          1HH2      ARG  64 -27.121  -2.323  -0.911
  770   2HH2  ARG  64          2HH2      ARG  64 -28.095  -0.941  -0.480
  771    H    CYS  65           H        CYS  65 -20.963  -1.549  -1.274
  772    HA   CYS  65           HA       CYS  65 -21.323  -3.209  -3.645
  773   1HB   CYS  65          1HB       CYS  65 -21.041  -0.218  -3.312
  774   2HB   CYS  65          2HB       CYS  65 -21.265  -1.030  -4.855
  775    HG   CYS  65           HG       CYS  65 -23.750  -0.221  -4.558
  776    HA   PRO  66           HA       PRO  66 -16.807  -3.329  -3.641
  777   1HB   PRO  66          1HB       PRO  66 -16.581  -5.475  -5.277
  778   2HB   PRO  66          2HB       PRO  66 -16.935  -5.619  -3.553
  779   1HG   PRO  66          1HG       PRO  66 -18.771  -5.818  -5.891
  780   2HG   PRO  66          2HG       PRO  66 -18.773  -6.741  -4.380
  781   1HD   PRO  66          1HD       PRO  66 -20.458  -4.635  -4.917
  782   2HD   PRO  66          2HD       PRO  66 -20.007  -5.165  -3.286
  783    H    PHE  67           H        PHE  67 -18.807  -3.777  -6.552
  784    HA   PHE  67           HA       PHE  67 -16.915  -2.890  -8.425
  785   1HB   PHE  67          1HB       PHE  67 -18.942  -4.073  -9.091
  786   2HB   PHE  67          2HB       PHE  67 -19.938  -2.748  -8.502
  787    HD1  PHE  67           HD1      PHE  67 -17.289  -3.541 -10.985
  788    HD2  PHE  67           HD2      PHE  67 -20.568  -1.041  -9.933
  789    HE1  PHE  67           HE1      PHE  67 -17.203  -2.495 -13.211
  790    HE2  PHE  67           HE2      PHE  67 -20.486   0.009 -12.156
  791    HZ   PHE  67           HZ       PHE  67 -18.801  -0.718 -13.797
  792    H    CYS  68           H        CYS  68 -19.447  -1.148  -6.663
  793    HA   CYS  68           HA       CYS  68 -18.985   1.380  -7.805
  794   1HB   CYS  68          1HB       CYS  68 -20.017   0.837  -5.017
  795   2HB   CYS  68          2HB       CYS  68 -20.334   2.251  -6.018
  796    HG   CYS  68           HG       CYS  68 -21.660   0.543  -7.991
  797    H    ARG  69           H        ARG  69 -17.646  -0.232  -4.967
  798    HA   ARG  69           HA       ARG  69 -16.135   1.950  -4.006
  799   1HB   ARG  69          1HB       ARG  69 -16.660   0.044  -2.597
  800   2HB   ARG  69          2HB       ARG  69 -15.756  -1.028  -3.656
  801   1HG   ARG  69          1HG       ARG  69 -13.687   0.092  -3.058
  802   2HG   ARG  69          2HG       ARG  69 -14.581   1.221  -2.035
  803   1HD   ARG  69          1HD       ARG  69 -15.283  -0.568  -0.590
  804   2HD   ARG  69          2HD       ARG  69 -14.562  -1.769  -1.661
  805    HE   ARG  69           HE       ARG  69 -12.446  -0.259  -1.026
  806   1HH1  ARG  69          1HH1      ARG  69 -14.966  -1.643   0.960
  807   2HH1  ARG  69          2HH1      ARG  69 -13.921  -1.919   2.320
  808   1HH2  ARG  69          1HH2      ARG  69 -11.060  -0.613   0.758
  809   2HH2  ARG  69          2HH2      ARG  69 -11.694  -1.301   2.216
  810    H    PHE  70           H        PHE  70 -15.376  -0.711  -6.206
  811    HA   PHE  70           HA       PHE  70 -12.665  -0.116  -6.630
  812   1HB   PHE  70          1HB       PHE  70 -13.696  -2.222  -7.342
  813   2HB   PHE  70          2HB       PHE  70 -14.694  -1.360  -8.504
  814    HD1  PHE  70           HD1      PHE  70 -13.964  -1.088 -10.680
  815    HD2  PHE  70           HD2      PHE  70 -11.145  -2.048  -7.640
  816    HE1  PHE  70           HE1      PHE  70 -12.228  -1.390 -12.393
  817    HE2  PHE  70           HE2      PHE  70  -9.401  -2.350  -9.350
  818    HZ   PHE  70           HZ       PHE  70  -9.941  -2.021 -11.729
  819    H    GLN  71           H        GLN  71 -15.553   0.838  -8.480
  820    HA   GLN  71           HA       GLN  71 -14.270   2.518 -10.309
  821   1HB   GLN  71          1HB       GLN  71 -17.071   2.715  -9.188
  822   2HB   GLN  71          2HB       GLN  71 -16.489   3.598 -10.591
  823   1HG   GLN  71          1HG       GLN  71 -16.697   0.607 -10.343
  824   2HG   GLN  71          2HG       GLN  71 -17.791   1.656 -11.242
  825   1HE2  GLN  71          1HE2      GLN  71 -15.638   3.362 -12.246
  826   2HE2  GLN  71          2HE2      GLN  71 -14.825   2.429 -13.460
  827    H    LYS  72           H        LYS  72 -15.641   3.206  -7.111
  828    HA   LYS  72           HA       LYS  72 -15.248   5.923  -6.934
  829   1HB   LYS  72          1HB       LYS  72 -16.244   4.222  -5.256
  830   2HB   LYS  72          2HB       LYS  72 -14.598   4.065  -4.662
  831   1HG   LYS  72          1HG       LYS  72 -15.739   5.629  -3.285
  832   2HG   LYS  72          2HG       LYS  72 -14.580   6.523  -4.274
  833   1HD   LYS  72          1HD       LYS  72 -16.288   7.275  -5.735
  834   2HD   LYS  72          2HD       LYS  72 -17.470   6.179  -5.025
  835   1HE   LYS  72          1HE       LYS  72 -17.923   8.352  -4.179
  836   2HE   LYS  72          2HE       LYS  72 -17.197   7.403  -2.884
  837   1HZ   LYS  72          1HZ       LYS  72 -16.274   9.632  -2.972
  838   2HZ   LYS  72          2HZ       LYS  72 -15.779   9.394  -4.575
  839   3HZ   LYS  72          3HZ       LYS  72 -15.081   8.487  -3.326
  840    H    CYS  73           H        CYS  73 -12.932   3.313  -6.309
  841    HA   CYS  73           HA       CYS  73 -10.784   4.867  -5.429
  842   1HB   CYS  73          1HB       CYS  73 -10.711   2.270  -6.984
  843   2HB   CYS  73          2HB       CYS  73  -9.370   2.953  -6.074
  844    HG   CYS  73           HG       CYS  73 -12.322   1.853  -4.733
  845    H    LEU  74           H        LEU  74 -11.384   3.574  -8.722
  846    HA   LEU  74           HA       LEU  74  -9.242   4.969  -9.903
  847   1HB   LEU  74          1HB       LEU  74 -11.723   3.714 -11.041
  848   2HB   LEU  74          2HB       LEU  74 -10.573   4.547 -12.057
  849    HG   LEU  74           HG       LEU  74  -8.817   2.950 -11.119
  850   1HD1  LEU  74          1HD1      LEU  74 -10.036   2.115  -9.230
  851   2HD1  LEU  74          2HD1      LEU  74  -9.697   0.794 -10.349
  852   3HD1  LEU  74          3HD1      LEU  74 -11.310   1.507 -10.284
  853   1HD2  LEU  74          1HD2      LEU  74 -11.058   1.879 -12.819
  854   2HD2  LEU  74          2HD2      LEU  74  -9.432   1.204 -12.715
  855   3HD2  LEU  74          3HD2      LEU  74  -9.678   2.815 -13.389
  856    H    THR  75           H        THR  75 -12.515   5.932  -9.186
  857    HA   THR  75           HA       THR  75 -12.693   8.148 -10.927
  858    HB   THR  75           HB       THR  75 -14.079   7.622  -8.293
  859    HG1  THR  75           HG1      THR  75 -14.551   6.151 -10.008
  860   1HG2  THR  75          1HG2      THR  75 -14.094  10.014  -8.777
  861   2HG2  THR  75          2HG2      THR  75 -15.704   9.324  -8.987
  862   3HG2  THR  75          3HG2      THR  75 -14.712   9.693 -10.397
  863    H    VAL  76           H        VAL  76 -11.727   7.923  -7.504
  864    HA   VAL  76           HA       VAL  76 -11.392  10.741  -7.249
  865    HB   VAL  76           HB       VAL  76 -10.427  10.274  -5.054
  866   1HG1  VAL  76          1HG1      VAL  76 -12.848  10.321  -5.298
  867   2HG1  VAL  76          2HG1      VAL  76 -12.369   9.146  -4.073
  868   3HG1  VAL  76          3HG1      VAL  76 -12.857   8.598  -5.678
  869   1HG2  VAL  76          1HG2      VAL  76  -9.140   8.273  -5.643
  870   2HG2  VAL  76          2HG2      VAL  76 -10.639   7.365  -5.826
  871   3HG2  VAL  76          3HG2      VAL  76 -10.175   7.992  -4.244
  872    H    GLY  77           H        GLY  77  -9.315   8.184  -8.320
  873   1HA   GLY  77          1HA       GLY  77  -7.573   9.313  -9.814
  874   2HA   GLY  77          2HA       GLY  77  -7.064  10.086  -8.323
  875    H    MET  78           H        MET  78  -8.071   6.992  -7.580
  876    HA   MET  78           HA       MET  78  -5.396   6.084  -7.178
  877   1HB   MET  78          1HB       MET  78  -8.040   4.626  -6.971
  878   2HB   MET  78          2HB       MET  78  -6.487   3.914  -6.546
  879   1HG   MET  78          1HG       MET  78  -6.164   5.638  -4.844
  880   2HG   MET  78          2HG       MET  78  -7.725   6.340  -5.264
  881   1HE   MET  78          1HE       MET  78  -5.890   3.173  -3.834
  882   2HE   MET  78          2HE       MET  78  -6.872   2.507  -5.139
  883   3HE   MET  78          3HE       MET  78  -7.254   2.117  -3.461
  884    H    ARG  79           H        ARG  79  -4.143   5.497  -8.757
  885    HA   ARG  79           HA       ARG  79  -5.194   4.922 -11.352
  886   1HB   ARG  79          1HB       ARG  79  -2.331   4.851 -10.383
  887   2HB   ARG  79          2HB       ARG  79  -2.858   4.869 -12.061
  888   1HG   ARG  79          1HG       ARG  79  -3.235   7.072 -10.040
  889   2HG   ARG  79          2HG       ARG  79  -2.116   7.068 -11.404
  890   1HD   ARG  79          1HD       ARG  79  -3.930   7.075 -12.971
  891   2HD   ARG  79          2HD       ARG  79  -5.109   6.850 -11.681
  892    HE   ARG  79           HE       ARG  79  -3.536   9.231 -11.380
  893   1HH1  ARG  79          1HH1      ARG  79  -6.391   7.837 -12.848
  894   2HH1  ARG  79          2HH1      ARG  79  -7.190   9.365 -13.054
  895   1HH2  ARG  79          1HH2      ARG  79  -4.588  11.244 -11.604
  896   2HH2  ARG  79          2HH2      ARG  79  -6.174  11.305 -12.331
  897    H    LEU  80           H        LEU  80  -5.301   3.050 -12.410
  898    HA   LEU  80           HA       LEU  80  -5.401   0.672 -10.842
  899   1HB   LEU  80          1HB       LEU  80  -6.915   1.241 -12.759
  900   2HB   LEU  80          2HB       LEU  80  -5.567   0.932 -13.838
  901    HG   LEU  80           HG       LEU  80  -5.480  -1.407 -12.907
  902   1HD1  LEU  80          1HD1      LEU  80  -6.673  -0.979 -10.824
  903   2HD1  LEU  80          2HD1      LEU  80  -7.470  -2.235 -11.769
  904   3HD1  LEU  80          3HD1      LEU  80  -8.137  -0.603 -11.732
  905   1HD2  LEU  80          1HD2      LEU  80  -7.350  -2.182 -14.249
  906   2HD2  LEU  80          2HD2      LEU  80  -6.490  -0.869 -15.060
  907   3HD2  LEU  80          3HD2      LEU  80  -8.031  -0.554 -14.259
  908    H    GLU  81           H        GLU  81  -3.163   2.030 -13.164
  909    HA   GLU  81           HA       GLU  81  -1.578  -0.346 -13.397
  910   1HB   GLU  81          1HB       GLU  81   0.054   1.148 -14.545
  911   2HB   GLU  81          2HB       GLU  81  -1.558   1.185 -15.237
  912   1HG   GLU  81          1HG       GLU  81  -0.752   3.235 -13.220
  913   2HG   GLU  81          2HG       GLU  81  -0.239   3.388 -14.897
  914    H    ALA  82           H        ALA  82  -2.032   1.440 -10.769
  915    HA   ALA  82           HA       ALA  82   0.728   1.712  -9.927
  916   1HB   ALA  82          1HB       ALA  82  -0.920   3.382  -9.233
  917   2HB   ALA  82          2HB       ALA  82  -0.189   2.577  -7.845
  918   3HB   ALA  82          3HB       ALA  82  -1.815   2.136  -8.364
  919    H    VAL  83           H        VAL  83  -1.386  -0.805 -10.193
  920    HA   VAL  83           HA       VAL  83  -0.223  -2.215  -7.903
  921    HB   VAL  83           HB       VAL  83  -2.690  -2.331  -8.141
  922   1HG1  VAL  83          1HG1      VAL  83  -3.672  -3.739  -9.885
  923   2HG1  VAL  83          2HG1      VAL  83  -2.092  -3.860 -10.665
  924   3HG1  VAL  83          3HG1      VAL  83  -2.901  -2.296 -10.549
  925   1HG2  VAL  83          1HG2      VAL  83  -1.196  -4.926  -8.431
  926   2HG2  VAL  83          2HG2      VAL  83  -2.879  -4.790  -7.919
  927   3HG2  VAL  83          3HG2      VAL  83  -1.595  -4.081  -6.933
  928    H    ARG  84           H        ARG  84   0.974  -4.077  -8.176
  929    HA   ARG  84           HA       ARG  84   2.053  -4.411 -10.888
  930   1HB   ARG  84          1HB       ARG  84   3.342  -4.952  -8.210
  931   2HB   ARG  84          2HB       ARG  84   4.092  -5.259  -9.771
  932   1HG   ARG  84          1HG       ARG  84   4.038  -2.894 -10.293
  933   2HG   ARG  84          2HG       ARG  84   3.208  -2.560  -8.771
  934   1HD   ARG  84          1HD       ARG  84   5.143  -3.440  -7.545
  935   2HD   ARG  84          2HD       ARG  84   5.967  -3.730  -9.076
  936    HE   ARG  84           HE       ARG  84   5.765  -1.239  -9.407
  937   1HH1  ARG  84          1HH1      ARG  84   5.881  -2.681  -6.213
  938   2HH1  ARG  84          2HH1      ARG  84   6.607  -1.288  -5.472
  939   1HH2  ARG  84          1HH2      ARG  84   6.707   0.599  -8.420
  940   2HH2  ARG  84          2HH2      ARG  84   7.050   0.577  -6.715
  941    H    ALA  85           H        ALA  85   1.631  -6.238 -11.896
  942    HA   ALA  85           HA       ALA  85   0.337  -8.406 -10.488
  943   1HB   ALA  85          1HB       ALA  85   1.039  -8.149 -13.407
  944   2HB   ALA  85          2HB       ALA  85  -0.490  -7.665 -12.673
  945   3HB   ALA  85          3HB       ALA  85  -0.017  -9.365 -12.690
  946    H    ASP  86           H        ASP  86   3.503  -7.627 -11.605
  947    HA   ASP  86           HA       ASP  86   4.454 -10.336 -11.772
  948   1HB   ASP  86          1HB       ASP  86   5.979  -7.725 -11.526
  949   2HB   ASP  86          2HB       ASP  86   6.714  -9.293 -11.841
  950    H    ARG  87           H        ARG  87   5.664  -7.770  -9.668
  951    HA   ARG  87           HA       ARG  87   4.574  -8.678  -7.295
  952   1HB   ARG  87          1HB       ARG  87   6.116 -10.632  -7.663
  953   2HB   ARG  87          2HB       ARG  87   7.470  -9.518  -7.520
  954   1HG   ARG  87          1HG       ARG  87   7.085 -10.683  -5.428
  955   2HG   ARG  87          2HG       ARG  87   6.775  -8.956  -5.246
  956   1HD   ARG  87          1HD       ARG  87   4.994  -9.978  -4.128
  957   2HD   ARG  87          2HD       ARG  87   4.325  -9.528  -5.693
  958    HE   ARG  87           HE       ARG  87   5.173 -12.270  -4.970
  959   1HH1  ARG  87          1HH1      ARG  87   3.099 -10.070  -6.746
  960   2HH1  ARG  87          2HH1      ARG  87   2.080 -11.331  -7.371
  961   1HH2  ARG  87          1HH2      ARG  87   3.808 -13.931  -5.766
  962   2HH2  ARG  87          2HH2      ARG  87   2.479 -13.521  -6.811
  963    H    MET  88           H        MET  88   7.994  -7.863  -7.492
  964    HA   MET  88           HA       MET  88   9.133  -6.228  -6.369
  965   1HB   MET  88          1HB       MET  88   8.627  -5.101  -8.502
  966   2HB   MET  88          2HB       MET  88   7.135  -4.476  -7.812
  967   1HG   MET  88          1HG       MET  88   8.683  -2.714  -7.716
  968   2HG   MET  88          2HG       MET  88   8.549  -3.333  -6.071
  969   1HE   MET  88          1HE       MET  88  10.836  -2.484  -9.000
  970   2HE   MET  88          2HE       MET  88  10.591  -4.194  -9.361
  971   3HE   MET  88          3HE       MET  88  12.181  -3.616  -8.859
  972    H    ARG  89           H        ARG  89   8.663  -6.686  -4.255
  973    HA   ARG  89           HA       ARG  89   6.156  -5.988  -3.057
  974   1HB   ARG  89          1HB       ARG  89   8.687  -7.203  -1.972
  975   2HB   ARG  89          2HB       ARG  89   7.297  -6.848  -0.956
  976   1HG   ARG  89          1HG       ARG  89   5.942  -8.401  -2.100
  977   2HG   ARG  89          2HG       ARG  89   7.114  -8.569  -3.407
  978   1HD   ARG  89          1HD       ARG  89   7.144 -10.494  -1.896
  979   2HD   ARG  89          2HD       ARG  89   8.682  -9.636  -1.903
  980    HE   ARG  89           HE       ARG  89   7.188  -8.617   0.205
  981   1HH1  ARG  89          1HH1      ARG  89   8.625 -11.650  -0.767
  982   2HH1  ARG  89          2HH1      ARG  89   8.876 -12.215   0.862
  983   1HH2  ARG  89          1HH2      ARG  89   7.537  -9.335   2.368
  984   2HH2  ARG  89          2HH2      ARG  89   8.250 -10.895   2.647
  985    H    GLY  90           H        GLY  90   6.796  -3.614  -3.798
  986   1HA   GLY  90          1HA       GLY  90   6.400  -1.801  -2.075
  987   2HA   GLY  90          2HA       GLY  90   7.952  -2.301  -1.422
  988    H    GLY  91           H        GLY  91   7.954   0.205  -1.910
  989   1HA   GLY  91          1HA       GLY  91   9.412   1.707  -2.874
  990   2HA   GLY  91          2HA       GLY  91   9.950   0.436  -3.958
  991    H    ARG  92           H        ARG  92   9.676   2.990  -4.859
  992    HA   ARG  92           HA       ARG  92   7.217   2.899  -6.467
  993   1HB   ARG  92          1HB       ARG  92   7.713   5.329  -6.959
  994   2HB   ARG  92          2HB       ARG  92   7.246   4.968  -5.307
  995   1HG   ARG  92          1HG       ARG  92  10.141   5.106  -6.012
  996   2HG   ARG  92          2HG       ARG  92   9.217   6.595  -5.806
  997   1HD   ARG  92          1HD       ARG  92   8.549   5.861  -3.563
  998   2HD   ARG  92          2HD       ARG  92   9.485   4.381  -3.771
  999    HE   ARG  92           HE       ARG  92  11.333   6.292  -4.184
 1000   1HH1  ARG  92          1HH1      ARG  92   8.986   5.820  -1.622
 1001   2HH1  ARG  92          2HH1      ARG  92   9.970   6.564  -0.408
 1002   1HH2  ARG  92          1HH2      ARG  92  12.632   7.278  -2.596
 1003   2HH2  ARG  92          2HH2      ARG  92  12.054   7.399  -0.965
 1004    H    ASN  93           H        ASN  93   7.656   4.111  -8.681
 1005    HA   ASN  93           HA       ASN  93  10.213   3.654  -9.864
 1006   1HB   ASN  93          1HB       ASN  93   9.541   1.336  -9.811
 1007   2HB   ASN  93          2HB       ASN  93   7.962   1.726 -10.480
 1008   1HD2  ASN  93          1HD2      ASN  93  11.380   1.472 -11.161
 1009   2HD2  ASN  93          2HD2      ASN  93  11.214   1.338 -12.887
 1010    H    LYS  94           H        LYS  94   6.886   3.383 -11.091
 1011    HA   LYS  94           HA       LYS  94   7.432   5.382 -13.116
 1012   1HB   LYS  94          1HB       LYS  94   4.932   3.811 -12.452
 1013   2HB   LYS  94          2HB       LYS  94   5.084   4.908 -13.819
 1014   1HG   LYS  94          1HG       LYS  94   6.725   3.528 -14.845
 1015   2HG   LYS  94          2HG       LYS  94   6.861   2.519 -13.404
 1016   1HD   LYS  94          1HD       LYS  94   4.593   1.723 -13.712
 1017   2HD   LYS  94          2HD       LYS  94   4.379   2.797 -15.095
 1018   1HE   LYS  94          1HE       LYS  94   4.853   0.468 -15.755
 1019   2HE   LYS  94          2HE       LYS  94   6.067   1.606 -16.338
 1020   1HZ   LYS  94          1HZ       LYS  94   6.340  -0.160 -13.962
 1021   2HZ   LYS  94          2HZ       LYS  94   7.503   0.951 -14.500
 1022   3HZ   LYS  94          3HZ       LYS  94   7.098  -0.383 -15.463
 1023    H    PHE  95           H        PHE  95   5.663   5.045 -10.144
 1024    HA   PHE  95           HA       PHE  95   4.440   7.658 -10.377
 1025   1HB   PHE  95          1HB       PHE  95   4.315   5.543  -8.217
 1026   2HB   PHE  95          2HB       PHE  95   3.430   7.066  -8.164
 1027    HD1  PHE  95           HD1      PHE  95   1.401   7.332  -9.314
 1028    HD2  PHE  95           HD2      PHE  95   3.823   3.916 -10.075
 1029    HE1  PHE  95           HE1      PHE  95  -0.422   6.336 -10.629
 1030    HE2  PHE  95           HE2      PHE  95   2.002   2.914 -11.389
 1031    HZ   PHE  95           HZ       PHE  95  -0.122   4.125 -11.669
 1032    H    GLY  96           H        GLY  96   7.040   8.035 -10.504
 1033   1HA   GLY  96          1HA       GLY  96   8.026   8.770  -7.849
 1034   2HA   GLY  96          2HA       GLY  96   8.937   8.837  -9.350
 1035    HA   PRO  97           HA       PRO  97   8.381  13.129  -9.907
 1036   1HB   PRO  97          1HB       PRO  97   7.139  13.366 -12.370
 1037   2HB   PRO  97          2HB       PRO  97   8.872  13.122 -12.126
 1038   1HG   PRO  97          1HG       PRO  97   6.747  11.121 -12.774
 1039   2HG   PRO  97          2HG       PRO  97   8.405  11.242 -13.397
 1040   1HD   PRO  97          1HD       PRO  97   7.756   9.449 -11.523
 1041   2HD   PRO  97          2HD       PRO  97   9.321  10.288 -11.488
 1042    H    MET  98           H        MET  98   5.423  11.489 -11.054
 1043    HA   MET  98           HA       MET  98   3.741  13.694 -10.596
 1044   1HB   MET  98          1HB       MET  98   1.869  12.037 -10.769
 1045   2HB   MET  98          2HB       MET  98   2.991  12.036 -12.114
 1046   1HG   MET  98          1HG       MET  98   2.521   9.801 -11.701
 1047   2HG   MET  98          2HG       MET  98   4.116  10.083 -11.020
 1048   1HE   MET  98          1HE       MET  98   0.283   9.779  -8.458
 1049   2HE   MET  98          2HE       MET  98   0.286   9.657 -10.218
 1050   3HE   MET  98          3HE       MET  98   0.681  11.190  -9.440
 1051    H    TYR  99           H        TYR  99   4.918  11.215  -8.498
 1052    HA   TYR  99           HA       TYR  99   2.960  11.450  -6.455
 1053   1HB   TYR  99          1HB       TYR  99   5.090   9.771  -7.001
 1054   2HB   TYR  99          2HB       TYR  99   5.629  10.648  -5.575
 1055    HD1  TYR  99           HD1      TYR  99   4.457  10.398  -3.446
 1056    HD2  TYR  99           HD2      TYR  99   3.237   8.236  -6.901
 1057    HE1  TYR  99           HE1      TYR  99   3.139   8.881  -2.029
 1058    HE2  TYR  99           HE2      TYR  99   1.915   6.722  -5.496
 1059    HH   TYR  99           HH       TYR  99   1.924   5.945  -3.154
 1060    H    LYS 100           H        LYS 100   6.324  12.598  -6.664
 1061    HA   LYS 100           HA       LYS 100   6.208  14.185  -4.332
 1062   1HB   LYS 100          1HB       LYS 100   8.271  15.254  -5.217
 1063   2HB   LYS 100          2HB       LYS 100   8.344  13.497  -5.204
 1064   1HG   LYS 100          1HG       LYS 100   7.900  13.433  -7.586
 1065   2HG   LYS 100          2HG       LYS 100   7.736  15.189  -7.618
 1066   1HD   LYS 100          1HD       LYS 100  10.233  13.696  -6.826
 1067   2HD   LYS 100          2HD       LYS 100   9.941  14.418  -8.410
 1068   1HE   LYS 100          1HE       LYS 100   9.802  16.620  -7.422
 1069   2HE   LYS 100          2HE       LYS 100   9.967  15.936  -5.804
 1070   1HZ   LYS 100          1HZ       LYS 100  12.173  15.123  -6.444
 1071   2HZ   LYS 100          2HZ       LYS 100  12.063  16.814  -6.536
 1072   3HZ   LYS 100          3HZ       LYS 100  12.017  15.881  -7.954
 1073    H    ARG 101           H        ARG 101   5.359  14.782  -7.656
 1074    HA   ARG 101           HA       ARG 101   5.213  17.588  -7.591
 1075   1HB   ARG 101          1HB       ARG 101   5.119  16.069  -9.618
 1076   2HB   ARG 101          2HB       ARG 101   3.445  15.745  -9.200
 1077   1HG   ARG 101          1HG       ARG 101   2.902  18.100  -9.485
 1078   2HG   ARG 101          2HG       ARG 101   4.592  18.446  -9.873
 1079   1HD   ARG 101          1HD       ARG 101   4.374  16.767 -11.743
 1080   2HD   ARG 101          2HD       ARG 101   2.642  16.764 -11.428
 1081    HE   ARG 101           HE       ARG 101   3.620  19.408 -11.823
 1082   1HH1  ARG 101          1HH1      ARG 101   2.733  16.468 -13.513
 1083   2HH1  ARG 101          2HH1      ARG 101   2.374  17.285 -15.004
 1084   1HH2  ARG 101          1HH2      ARG 101   3.148  20.484 -13.801
 1085   2HH2  ARG 101          2HH2      ARG 101   2.610  19.552 -15.171
 1086    H    ASP 102           H        ASP 102   2.746  15.091  -7.019
 1087    HA   ASP 102           HA       ASP 102   0.619  16.821  -6.396
 1088   1HB   ASP 102          1HB       ASP 102   0.474  14.328  -6.841
 1089   2HB   ASP 102          2HB       ASP 102   1.063  14.077  -5.201
 1090    H    ARG 103           H        ARG 103   3.049  15.253  -4.376
 1091    HA   ARG 103           HA       ARG 103   2.267  16.166  -1.868
 1092   1HB   ARG 103          1HB       ARG 103   3.966  14.486  -2.073
 1093   2HB   ARG 103          2HB       ARG 103   5.000  15.560  -3.000
 1094   1HG   ARG 103          1HG       ARG 103   5.850  15.337  -0.760
 1095   2HG   ARG 103          2HG       ARG 103   5.270  16.978  -1.013
 1096   1HD   ARG 103          1HD       ARG 103   3.216  16.466   0.157
 1097   2HD   ARG 103          2HD       ARG 103   3.728  14.791   0.357
 1098    HE   ARG 103           HE       ARG 103   5.510  16.791   1.478
 1099   1HH1  ARG 103          1HH1      ARG 103   2.922  14.497   1.994
 1100   2HH1  ARG 103          2HH1      ARG 103   3.105  14.478   3.729
 1101   1HH2  ARG 103          1HH2      ARG 103   5.751  16.790   3.765
 1102   2HH2  ARG 103          2HH2      ARG 103   4.691  15.800   4.729
 1103    H    ALA 104           H        ALA 104   4.485  17.673  -4.202
 1104    HA   ALA 104           HA       ALA 104   5.183  19.883  -2.620
 1105   1HB   ALA 104          1HB       ALA 104   5.132  19.682  -5.627
 1106   2HB   ALA 104          2HB       ALA 104   6.464  19.186  -4.581
 1107   3HB   ALA 104          3HB       ALA 104   6.005  20.887  -4.680
 1108    H    LEU 105           H        LEU 105   2.532  19.390  -4.891
 1109    HA   LEU 105           HA       LEU 105   1.681  22.124  -4.831
 1110   1HB   LEU 105          1HB       LEU 105   0.223  19.657  -5.740
 1111   2HB   LEU 105          2HB       LEU 105  -0.292  21.304  -6.042
 1112    HG   LEU 105           HG       LEU 105   2.221  20.017  -7.112
 1113   1HD1  LEU 105          1HD1      LEU 105  -0.334  20.824  -8.491
 1114   2HD1  LEU 105          2HD1      LEU 105   0.197  19.173  -8.170
 1115   3HD1  LEU 105          3HD1      LEU 105   1.114  20.194  -9.279
 1116   1HD2  LEU 105          1HD2      LEU 105   1.070  22.762  -7.599
 1117   2HD2  LEU 105          2HD2      LEU 105   2.476  22.070  -8.408
 1118   3HD2  LEU 105          3HD2      LEU 105   2.527  22.397  -6.675
 1119    H    LYS 106           H        LYS 106   0.847  19.203  -3.092
 1120    HA   LYS 106           HA       LYS 106  -1.553  20.163  -1.927
 1121   1HB   LYS 106          1HB       LYS 106  -0.984  17.770  -2.039
 1122   2HB   LYS 106          2HB       LYS 106   0.342  18.035  -0.917
 1123   1HG   LYS 106          1HG       LYS 106  -1.180  18.591   0.849
 1124   2HG   LYS 106          2HG       LYS 106  -2.550  18.552  -0.263
 1125   1HD   LYS 106          1HD       LYS 106  -2.200  16.173  -0.634
 1126   2HD   LYS 106          2HD       LYS 106  -0.793  16.200   0.429
 1127   1HE   LYS 106          1HE       LYS 106  -2.809  15.316   1.543
 1128   2HE   LYS 106          2HE       LYS 106  -2.181  16.767   2.322
 1129   1HZ   LYS 106          1HZ       LYS 106  -3.899  18.068   1.403
 1130   2HZ   LYS 106          2HZ       LYS 106  -4.656  16.678   2.013
 1131   3HZ   LYS 106          3HZ       LYS 106  -4.389  16.837   0.345
 1132    H    GLN 107           H        GLN 107   1.788  20.614  -1.216
 1133    HA   GLN 107           HA       GLN 107   1.132  21.862   1.357
 1134   1HB   GLN 107          1HB       GLN 107   3.799  21.061   0.184
 1135   2HB   GLN 107          2HB       GLN 107   3.597  21.878   1.728
 1136   1HG   GLN 107          1HG       GLN 107   2.617  19.130   0.989
 1137   2HG   GLN 107          2HG       GLN 107   3.912  19.538   2.114
 1138   1HE2  GLN 107          1HE2      GLN 107   1.471  18.009   2.557
 1139   2HE2  GLN 107          2HE2      GLN 107   0.629  18.806   3.838
 1140    H    GLN 108           H        GLN 108   3.472  22.544  -1.227
 1141    HA   GLN 108           HA       GLN 108   4.162  24.437  -2.241
 1142   1HB   GLN 108          1HB       GLN 108   1.273  25.057  -1.753
 1143   2HB   GLN 108          2HB       GLN 108   2.325  26.203  -2.570
 1144   1HG   GLN 108          1HG       GLN 108   2.799  24.519  -4.285
 1145   2HG   GLN 108          2HG       GLN 108   1.710  23.393  -3.471
 1146   1HE2  GLN 108          1HE2      GLN 108  -0.136  25.545  -2.730
 1147   2HE2  GLN 108          2HE2      GLN 108  -0.999  25.949  -4.174
 1148    H    LYS 109           H        LYS 109   4.075  26.981  -2.024
 1149    HA   LYS 109           HA       LYS 109   4.153  27.735   0.809
 1150   1HB   LYS 109          1HB       LYS 109   6.007  29.283   0.307
 1151   2HB   LYS 109          2HB       LYS 109   6.445  27.609   0.013
 1152   1HG   LYS 109          1HG       LYS 109   5.469  29.268  -2.258
 1153   2HG   LYS 109          2HG       LYS 109   7.118  29.480  -1.673
 1154   1HD   LYS 109          1HD       LYS 109   6.112  26.728  -2.251
 1155   2HD   LYS 109          2HD       LYS 109   6.583  27.771  -3.592
 1156   1HE   LYS 109          1HE       LYS 109   8.440  26.358  -2.915
 1157   2HE   LYS 109          2HE       LYS 109   8.803  28.051  -2.593
 1158   1HZ   LYS 109          1HZ       LYS 109   7.795  26.170  -0.525
 1159   2HZ   LYS 109          2HZ       LYS 109   8.431  27.726  -0.284
 1160   3HZ   LYS 109          3HZ       LYS 109   9.441  26.468  -0.798
 1161    H    LYS 110           H        LYS 110   3.173  29.645   1.316
 1162    HA   LYS 110           HA       LYS 110   1.361  30.640  -0.715
 1163   1HB   LYS 110          1HB       LYS 110   1.601  31.013   2.251
 1164   2HB   LYS 110          2HB       LYS 110   0.605  32.109   1.305
 1165   1HG   LYS 110          1HG       LYS 110  -0.744  30.344   2.259
 1166   2HG   LYS 110          2HG       LYS 110  -0.717  30.210   0.502
 1167   1HD   LYS 110          1HD       LYS 110   1.036  28.470   0.708
 1168   2HD   LYS 110          2HD       LYS 110   0.881  28.564   2.463
 1169   1HE   LYS 110          1HE       LYS 110  -1.331  27.829   0.549
 1170   2HE   LYS 110          2HE       LYS 110  -0.387  26.685   1.501
 1171   1HZ   LYS 110          1HZ       LYS 110  -2.489  27.146   2.562
 1172   2HZ   LYS 110          2HZ       LYS 110  -2.159  28.807   2.584
 1173   3HZ   LYS 110          3HZ       LYS 110  -1.221  27.748   3.518
 1174    H    ALA 111           H        ALA 111   3.921  31.940   1.356
 1175    HA   ALA 111           HA       ALA 111   3.922  34.371  -0.280
 1176   1HB   ALA 111          1HB       ALA 111   3.765  34.697   2.145
 1177   2HB   ALA 111          2HB       ALA 111   5.256  35.378   1.495
 1178   3HB   ALA 111          3HB       ALA 111   5.291  33.839   2.357
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  30.312   1.654  -2.337
    2   2H5*    G   1          2H5*        G   1  29.581   0.042  -2.409
    3    H4*    G   1           H4*        G   1  29.902   1.189  -0.132
    4    H3*    G   1           H3*        G   1  28.292  -0.853  -0.768
    5    H1*    G   1           H1*        G   1  26.720   2.337   0.852
    6    H8     G   1           H8         G   1  25.963   1.889  -2.903
    7    H1     G   1           H1         G   1  23.419   7.106  -0.156
    8   1H2     G   1          1H2         G   1  24.115   7.280   1.930
    9   2H2     G   1          2H2         G   1  25.208   6.117   2.649
   10    H5T    G   1           H5T        G   1  28.066   2.423  -2.680
   11   1H2*    G   1          1H2*        G   1  26.353   0.377  -1.447
   12   2H2*    G   1          2H2*        G   1  25.996   0.152   0.259
   13   1H5*    G   2          1H5*        G   2  27.556   1.595   3.366
   14   2H5*    G   2          2H5*        G   2  27.266   0.300   4.547
   15    H4*    G   2           H4*        G   2  26.025   2.275   5.147
   16    H3*    G   2           H3*        G   2  24.872  -0.198   5.112
   17    H1*    G   2           H1*        G   2  23.147   2.942   3.808
   18    H8     G   2           H8         G   2  24.267   0.742   0.804
   19    H1     G   2           H1         G   2  20.204   5.539  -0.518
   20   1H2     G   2          1H2         G   2  19.748   6.663   1.335
   21   2H2     G   2          2H2         G   2  20.441   6.230   2.881
   22   1H2*    G   2          1H2*        G   2  23.701   0.031   3.031
   23   2H2*    G   2          2H2*        G   2  22.486   0.633   4.152
   24   1H5*    C   3          1H5*        C   3  22.736   3.144   8.131
   25   2H5*    C   3          2H5*        C   3  21.749   2.127   9.201
   26    H4*    C   3           H4*        C   3  20.862   4.427   8.686
   27    H3*    C   3           H3*        C   3  19.415   2.255   9.299
   28    H1*    C   3           H1*        C   3  18.562   4.251   6.056
   29   1H4     C   3          1H4         C   3  19.517   1.508   0.430
   30   2H4     C   3          2H4         C   3  20.568   0.294   1.121
   31    H5     C   3           H5         C   3  21.091   0.198   3.484
   32    H6     C   3           H6         C   3  20.732   1.255   5.651
   33   1H2*    C   3          1H2*        C   3  19.015   1.425   7.092
   34   2H2*    C   3          2H2*        C   3  17.606   2.456   7.292
   35   1H5*    T   4          1H5*        T   4  17.443   6.239   8.124
   36   2H5*    T   4          2H5*        T   4  16.105   6.620   9.228
   37    H4*    T   4           H4*        T   4  15.789   7.705   7.097
   38    H3*    T   4           H3*        T   4  13.785   6.346   8.347
   39   1H2*    T   4          1H2*        T   4  13.852   4.352   7.029
   40   2H2*    T   4          2H2*        T   4  12.728   5.312   6.075
   41    H1*    T   4           H1*        T   4  14.452   6.077   4.573
   42    H3     T   4           H3         T   4  15.064   2.591   1.869
   43   1H5M    T   4          1H5M        T   4  16.131   0.748   6.729
   44   2H5M    T   4          2H5M        T   4  16.494  -0.159   5.241
   45   3H5M    T   4          3H5M        T   4  17.690   0.981   5.902
   46    H6     T   4           H6         T   4  15.868   3.253   6.522
   47   1H5*    C   5          1H5*        C   5  12.955   8.557   4.873
   48   2H5*    C   5          2H5*        C   5  11.797   9.885   4.646
   49    H4*    C   5           H4*        C   5  11.639   8.804   2.648
   50    H3*    C   5           H3*        C   5   9.388   8.419   4.273
   51    H1*    C   5           H1*        C   5  10.995   5.979   1.800
   52   1H4     C   5          1H4         C   5  12.590   0.110   3.566
   53   2H4     C   5          2H4         C   5  12.638   0.556   5.257
   54    H5     C   5           H5         C   5  12.136   2.790   6.042
   55    H6     C   5           H6         C   5  11.483   5.041   5.369
   56   1H2*    C   5          1H2*        C   5   9.567   6.071   4.509
   57   2H2*    C   5          2H2*        C   5   8.847   6.095   2.907
   58   1H5*    A   6          1H5*        A   6   8.329   7.775  -1.216
   59   2H5*    A   6          2H5*        A   6   6.803   8.470  -0.630
   60    H4*    A   6           H4*        A   6   6.590   6.687  -2.368
   61    H3*    A   6           H3*        A   6   4.853   7.199  -0.356
   62    H1*    A   6           H1*        A   6   6.113   3.555  -1.023
   63    H8     A   6           H8         A   6   7.345   5.154   2.272
   64   1H6     A   6          1H6         A   6   9.987  -0.333   3.358
   65   2H6     A   6          2H6         A   6   9.634   1.250   4.013
   66    H2     A   6           H2         A   6   8.235  -0.428  -0.775
   67   1H2*    A   6          1H2*        A   6   5.527   5.538   1.207
   68   2H2*    A   6          2H2*        A   6   4.403   4.577   0.254
   69   1H5*    G   7          1H5*        G   7   4.108   4.466  -3.555
   70   2H5*    G   7          2H5*        G   7   2.609   4.153  -4.460
   71    H4*    G   7           H4*        G   7   3.846   2.132  -4.350
   72    H3*    G   7           H3*        G   7   1.230   2.242  -3.311
   73    H1*    G   7           H1*        G   7   4.236   0.178  -2.126
   74    H8     G   7           H8         G   7   3.437   2.957   0.463
   75    H1     G   7           H1         G   7   6.571  -2.185   2.693
   76   1H2     G   7          1H2         G   7   6.860  -3.648   1.075
   77   2H2     G   7          2H2         G   7   6.279  -3.367  -0.551
   78   1H2*    G   7          1H2*        G   7   1.746   1.627  -1.091
   79   2H2*    G   7          2H2*        G   7   1.856   0.018  -1.792
   80   1H5*    G   8          1H5*        G   8   3.455  -1.290  -4.887
   81   2H5*    G   8          2H5*        G   8   2.485  -1.819  -6.279
   82    H4*    G   8           H4*        G   8   3.911  -3.597  -5.929
   83    H3*    G   8           H3*        G   8   1.324  -4.205  -5.651
   84    H1*    G   8           H1*        G   8   3.750  -5.180  -2.637
   85    H8     G   8           H8         G   8   2.167  -1.643  -2.471
   86    H1     G   8           H1         G   8   3.682  -4.289   3.177
   87   1H2     G   8          1H2         G   8   4.447  -6.330   2.874
   88   2H2     G   8          2H2         G   8   4.589  -7.049   1.287
   89   1H2*    G   8          1H2*        G   8   1.038  -4.050  -3.308
   90   2H2*    G   8          2H2*        G   8   1.610  -5.712  -3.375
   91   1H5*    G   9          1H5*        G   9   3.544  -6.560  -3.463
   92   2H5*    G   9          2H5*        G   9   4.079  -8.051  -4.262
   93    H4*    G   9           H4*        G   9   4.270  -8.790  -2.172
   94    H3*    G   9           H3*        G   9   1.849  -9.715  -3.155
   95    H1*    G   9           H1*        G   9   2.479  -8.402   0.439
   96    H8     G   9           H8         G   9   0.344  -5.976  -1.708
   97    H1     G   9           H1         G   9   0.389  -4.853   4.617
   98   1H2     G   9          1H2         G   9   1.622  -6.365   5.643
   99   2H2     G   9          2H2         G   9   2.439  -7.646   4.775
  100   1H2*    G   9          1H2*        G   9   0.389  -8.450  -1.789
  101   2H2*    G   9          2H2*        G   9   0.779  -9.706  -0.623
  102   1H5*    C  10          1H5*        C  10   3.310 -11.521   0.953
  103   2H5*    C  10          2H5*        C  10   3.125 -13.282   0.812
  104    H4*    C  10           H4*        C  10   2.632 -12.702   3.041
  105    H3*    C  10           H3*        C  10   0.756 -14.083   1.584
  106    H1*    C  10           H1*        C  10  -0.061 -11.242   4.045
  107   1H4     C  10          1H4         C  10  -2.933  -5.932   2.147
  108   2H4     C  10          2H4         C  10  -3.016  -6.492   0.491
  109    H5     C  10           H5         C  10  -2.057  -8.597  -0.235
  110    H6     C  10           H6         C  10  -0.847 -10.588   0.485
  111   1H2*    C  10          1H2*        C  10  -0.806 -12.310   1.275
  112   2H2*    C  10          2H2*        C  10  -1.344 -12.893   2.845
  113   1H5*    C  11          1H5*        C  11   0.738 -13.146   5.811
  114   2H5*    C  11          2H5*        C  11   1.127 -14.681   6.613
  115    H4*    C  11           H4*        C  11   0.539 -13.486   8.426
  116    H3*    C  11           H3*        C  11  -1.403 -15.280   7.848
  117    H1*    C  11           H1*        C  11  -2.401 -11.480   8.489
  118   1H4     C  11          1H4         C  11  -4.865  -8.645   3.402
  119   2H4     C  11          2H4         C  11  -4.368  -9.948   2.344
  120    H5     C  11           H5         C  11  -3.135 -11.886   3.136
  121    H6     C  11           H6         C  11  -2.149 -12.951   5.089
  122   1H2*    C  11          1H2*        C  11  -3.042 -13.922   6.841
  123   2H2*    C  11          2H2*        C  11  -3.447 -13.556   8.513
  124   1H5*    A  12          1H5*        A  12  -2.251 -11.795  10.495
  125   2H5*    A  12          2H5*        A  12  -1.764 -12.646  11.975
  126    H4*    A  12           H4*        A  12  -2.847 -10.904  12.912
  127    H3*    A  12           H3*        A  12  -4.288 -13.113  13.275
  128    H1*    A  12           H1*        A  12  -6.136 -10.017  11.631
  129    H8     A  12           H8         A  12  -4.800 -12.743   9.206
  130   1H6     A  12          1H6         A  12  -8.305  -9.926   4.959
  131   2H6     A  12          2H6         A  12  -7.226 -11.267   5.276
  132    H2     A  12           H2         A  12  -8.649  -7.622   8.804
  133   1H2*    A  12          1H2*        A  12  -5.744 -13.006  11.391
  134   2H2*    A  12          2H2*        A  12  -6.710 -12.098  12.547
  135   1H5*    C  13          1H5*        C  13  -6.252  -9.419  13.631
  136   2H5*    C  13          2H5*        C  13  -6.919  -8.938  15.204
  137    H4*    C  13           H4*        C  13  -8.243  -7.838  13.658
  138    H3*    C  13           H3*        C  13  -9.521  -9.848  15.164
  139    H1*    C  13           H1*        C  13 -10.165  -8.742  11.536
  140   1H4     C  13          1H4         C  13 -10.404 -13.086   6.933
  141   2H4     C  13          2H4         C  13  -9.487 -14.239   7.877
  142    H5     C  13           H5         C  13  -8.700 -13.775  10.123
  143    H6     C  13           H6         C  13  -8.652 -12.118  11.914
  144   1H2*    C  13          1H2*        C  13 -10.239 -11.192  13.365
  145   2H2*    C  13          2H2*        C  13 -11.451  -9.931  13.182
  146   1H5*    A  14          1H5*        A  14 -11.675  -6.731  13.326
  147   2H5*    A  14          2H5*        A  14 -12.357  -5.436  14.333
  148    H4*    A  14           H4*        A  14 -13.850  -5.294  12.682
  149    H3*    A  14           H3*        A  14 -15.018  -6.697  14.711
  150    H1*    A  14           H1*        A  14 -15.365  -7.640  11.020
  151    H8     A  14           H8         A  14 -13.103 -10.202  12.871
  152   1H6     A  14          1H6         A  14 -13.590 -13.571   7.699
  153   2H6     A  14          2H6         A  14 -12.937 -13.515   9.322
  154    H2     A  14           H2         A  14 -15.803  -9.718   7.068
  155   1H2*    A  14          1H2*        A  14 -14.791  -8.885  13.758
  156   2H2*    A  14          2H2*        A  14 -16.348  -8.411  13.094
  157   1H5*    G  15          1H5*        G  15 -17.120  -4.584  11.342
  158   2H5*    G  15          2H5*        G  15 -18.712  -3.941  11.799
  159    H4*    G  15           H4*        G  15 -18.461  -4.149   9.385
  160    H3*    G  15           H3*        G  15 -20.730  -4.766  10.661
  161    H1*    G  15           H1*        G  15 -19.229  -7.330   8.156
  162    H8     G  15           H8         G  15 -18.040  -8.019  11.775
  163    H1     G  15           H1         G  15 -17.796 -13.018   7.755
  164   1H2     G  15          1H2         G  15 -18.579 -12.442   5.778
  165   2H2     G  15          2H2         G  15 -19.166 -10.829   5.439
  166    H3T    G  15           H3T        G  15 -21.595  -5.078   8.519
  167   1H2*    G  15          1H2*        G  15 -20.329  -7.106  10.991
  168   2H2*    G  15          2H2*        G  15 -21.221  -7.138   9.476
  169   1H5*    C  16          1H5*        C  16 -19.404 -20.035   4.313
  170   2H5*    C  16          2H5*        C  16 -19.294 -20.533   2.615
  171    H4*    C  16           H4*        C  16 -19.669 -18.336   2.327
  172    H3*    C  16           H3*        C  16 -17.017 -18.954   1.822
  173    H1*    C  16           H1*        C  16 -18.305 -15.771   3.543
  174   1H4     C  16          1H4         C  16 -16.210 -14.144   9.299
  175   2H4     C  16          2H4         C  16 -15.602 -15.753   9.609
  176    H5     C  16           H5         C  16 -15.802 -17.563   8.015
  177    H6     C  16           H6         C  16 -16.604 -18.191   5.800
  178    H5T    C  16           H5T        C  16 -16.935 -20.105   2.927
  179   1H2*    C  16          1H2*        C  16 -16.052 -17.840   3.683
  180   2H2*    C  16          2H2*        C  16 -16.197 -16.465   2.597
  181   1H5*    T  17          1H5*        T  17 -19.230 -14.678   0.790
  182   2H5*    T  17          2H5*        T  17 -18.566 -14.504  -0.849
  183    H4*    T  17           H4*        T  17 -19.190 -12.355   0.086
  184    H3*    T  17           H3*        T  17 -16.868 -12.751  -1.247
  185   1H2*    T  17          1H2*        T  17 -15.364 -12.967   0.579
  186   2H2*    T  17          2H2*        T  17 -15.353 -11.215   0.428
  187    H1*    T  17           H1*        T  17 -16.868 -10.891   2.213
  188    H3     T  17           H3         T  17 -15.125 -12.090   6.144
  189   1H5M    T  17          1H5M        T  17 -14.908 -16.592   3.925
  190   2H5M    T  17          2H5M        T  17 -13.314 -15.940   4.370
  191   3H5M    T  17          3H5M        T  17 -13.833 -15.935   2.669
  192    H6     T  17           H6         T  17 -15.554 -14.333   1.958
  193   1H5*    G  18          1H5*        G  18 -17.676  -9.126   0.471
  194   2H5*    G  18          2H5*        G  18 -17.875  -7.536  -0.294
  195    H4*    G  18           H4*        G  18 -16.984  -6.886   1.670
  196    H3*    G  18           H3*        G  18 -15.036  -6.830  -0.361
  197    H1*    G  18           H1*        G  18 -14.692  -7.565   3.338
  198    H8     G  18           H8         G  18 -13.958 -10.843   1.376
  199    H1     G  18           H1         G  18 -11.703 -10.537   7.384
  200   1H2     G  18          1H2         G  18 -12.227  -8.591   8.284
  201   2H2     G  18          2H2         G  18 -13.130  -7.373   7.411
  202   1H2*    G  18          1H2*        G  18 -13.575  -8.422   0.614
  203   2H2*    G  18          2H2*        G  18 -13.101  -7.029   1.577
  204   1H5*    T  19          1H5*        T  19 -15.387  -4.836   3.414
  205   2H5*    T  19          2H5*        T  19 -15.507  -3.083   3.149
  206    H4*    T  19           H4*        T  19 -15.279  -3.343   5.456
  207    H3*    T  19           H3*        T  19 -13.393  -1.853   4.198
  208   1H2*    T  19          1H2*        T  19 -11.602  -3.411   4.142
  209   2H2*    T  19          2H2*        T  19 -11.328  -2.744   5.748
  210    H1*    T  19           H1*        T  19 -12.385  -4.545   6.853
  211    H3     T  19           H3         T  19  -9.501  -7.902   6.443
  212   1H5M    T  19          1H5M        T  19  -9.902  -7.936   1.826
  213   2H5M    T  19          2H5M        T  19 -11.608  -8.421   1.976
  214   3H5M    T  19          3H5M        T  19 -11.194  -6.761   1.481
  215    H6     T  19           H6         T  19 -12.274  -5.620   3.304
  216   1H5*    G  20          1H5*        G  20 -11.715  -2.892   8.142
  217   2H5*    G  20          2H5*        G  20 -11.797  -1.375   9.061
  218    H4*    G  20           H4*        G  20  -9.801  -2.021   9.807
  219    H3*    G  20           H3*        G  20  -9.367  -0.270   7.638
  220    H1*    G  20           H1*        G  20  -7.366  -3.406   8.685
  221    H8     G  20           H8         G  20  -8.984  -3.687   5.165
  222    H1     G  20           H1         G  20  -4.758  -8.266   6.706
  223   1H2     G  20          1H2         G  20  -3.999  -7.946   8.742
  224   2H2     G  20          2H2         G  20  -4.525  -6.607   9.737
  225   1H2*    G  20          1H2*        G  20  -8.177  -1.750   6.248
  226   2H2*    G  20          2H2*        G  20  -6.868  -1.459   7.385
  227   1H5*    G  21          1H5*        G  21  -6.606  -3.032   9.557
  228   2H5*    G  21          2H5*        G  21  -6.908  -1.866  10.859
  229    H4*    G  21           H4*        G  21  -5.361  -3.073  11.928
  230    H3*    G  21           H3*        G  21  -4.170  -0.812  11.192
  231    H1*    G  21           H1*        G  21  -2.448  -4.204   9.874
  232    H8     G  21           H8         G  21  -4.716  -2.064   7.582
  233    H1     G  21           H1         G  21  -1.894  -7.129   4.826
  234   1H2     G  21          1H2         G  21  -0.764  -8.276   6.334
  235   2H2     G  21          2H2         G  21  -0.701  -7.795   8.015
  236   1H2*    G  21          1H2*        G  21  -3.179  -1.397   9.126
  237   2H2*    G  21          2H2*        G  21  -1.893  -1.979  10.174
  238   1H5*    C  22          1H5*        C  22  -1.879  -4.390  12.337
  239   2H5*    C  22          2H5*        C  22  -0.840  -4.102  13.748
  240    H4*    C  22           H4*        C  22   0.127  -5.902  12.634
  241    H3*    C  22           H3*        C  22   1.681  -3.703  12.972
  242    H1*    C  22           H1*        C  22   1.585  -5.628   9.614
  243   1H4     C  22          1H4         C  22  -0.593  -2.817   4.385
  244   2H4     C  22          2H4         C  22  -1.172  -1.434   5.285
  245    H5     C  22           H5         C  22  -1.002  -1.268   7.690
  246    H6     C  22           H6         C  22  -0.208  -2.374   9.714
  247   1H2*    C  22          1H2*        C  22   1.523  -2.801  10.767
  248   2H2*    C  22          2H2*        C  22   2.906  -3.865  10.556
  249   1H5*    C  23          1H5*        C  23   2.451  -7.209   9.840
  250   2H5*    C  23          2H5*        C  23   3.546  -7.914  11.047
  251    H4*    C  23           H4*        C  23   4.169  -8.973   9.100
  252    H3*    C  23           H3*        C  23   6.122  -7.502  10.192
  253    H1*    C  23           H1*        C  23   5.349  -7.041   6.380
  254   1H4     C  23          1H4         C  23   2.785  -1.609   4.436
  255   2H4     C  23          2H4         C  23   2.470  -1.076   6.073
  256    H5     C  23           H5         C  23   3.006  -2.433   8.022
  257    H6     C  23           H6         C  23   3.949  -4.553   8.774
  258   1H2*    C  23          1H2*        C  23   5.864  -5.486   8.939
  259   2H2*    C  23          2H2*        C  23   7.010  -6.333   7.909
  260   1H5*    C  24          1H5*        C  24   6.221  -9.042   5.332
  261   2H5*    C  24          2H5*        C  24   7.365 -10.208   6.031
  262    H4*    C  24           H4*        C  24   7.874 -10.136   3.757
  263    H3*    C  24           H3*        C  24   9.883  -9.557   5.426
  264    H1*    C  24           H1*        C  24   9.081  -6.876   2.559
  265   1H4     C  24          1H4         C  24   6.158  -1.680   4.743
  266   2H4     C  24          2H4         C  24   6.503  -2.135   6.396
  267    H5     C  24           H5         C  24   7.582  -4.213   6.991
  268    H6     C  24           H6         C  24   8.537  -6.284   6.132
  269   1H2*    C  24          1H2*        C  24   9.867  -7.198   5.442
  270   2H2*    C  24          2H2*        C  24  10.828  -7.409   3.985
  271   1H5*    T  25          1H5*        T  25   9.058  -8.887   0.999
  272   2H5*    T  25          2H5*        T  25  10.442  -9.631   0.168
  273    H4*    T  25           H4*        T  25   9.281  -8.099  -1.297
  274    H3*    T  25           H3*        T  25  11.977  -8.127  -1.102
  275   1H2*    T  25          1H2*        T  25  12.235  -6.295   0.422
  276   2H2*    T  25          2H2*        T  25  12.329  -5.447  -1.115
  277    H1*    T  25           H1*        T  25  10.004  -4.820  -1.062
  278    H3     T  25           H3         T  25   9.384  -1.585   1.921
  279   1H5M    T  25          1H5M        T  25  11.170  -5.516   4.863
  280   2H5M    T  25          2H5M        T  25  12.695  -4.746   4.364
  281   3H5M    T  25          3H5M        T  25  11.492  -3.820   5.292
  282    H6     T  25           H6         T  25  11.392  -5.901   2.201
  283   1H5*    G  26          1H5*        G  26  10.035  -5.856  -4.430
  284   2H5*    G  26          2H5*        G  26  10.729  -5.947  -6.063
  285    H4*    G  26           H4*        G  26   9.876  -3.785  -5.879
  286    H3*    G  26           H3*        G  26  12.581  -4.045  -6.321
  287    H1*    G  26           H1*        G  26  10.970  -1.425  -4.050
  288    H8     G  26           H8         G  26  12.450  -4.235  -1.822
  289    H1     G  26           H1         G  26  11.682   1.492   0.971
  290   1H2     G  26          1H2         G  26  10.923   2.949  -0.500
  291   2H2     G  26          2H2         G  26  10.611   2.517  -2.167
  292   1H2*    G  26          1H2*        G  26  13.333  -3.371  -4.163
  293   2H2*    G  26          2H2*        G  26  13.199  -1.794  -4.928
  294   1H5*    A  27          1H5*        A  27  11.103   0.460  -5.123
  295   2H5*    A  27          2H5*        A  27  10.697   0.350  -6.848
  296    H4*    A  27           H4*        A  27  10.862   2.570  -6.771
  297    H3*    A  27           H3*        A  27  13.121   1.686  -7.898
  298    H1*    A  27           H1*        A  27  13.610   3.874  -4.493
  299    H8     A  27           H8         A  27  14.175   0.087  -4.846
  300   1H6     A  27          1H6         A  27  15.400   0.194   1.220
  301   2H6     A  27          2H6         A  27  15.393  -0.788  -0.230
  302    H2     A  27           H2         A  27  13.953   4.267   0.020
  303   1H2*    A  27          1H2*        A  27  14.697   1.695  -6.172
  304   2H2*    A  27          2H2*        A  27  14.736   3.432  -6.431
  305   1H5*    G  28          1H5*        G  28  12.508   4.801  -5.824
  306   2H5*    G  28          2H5*        G  28  12.096   6.342  -6.605
  307    H4*    G  28           H4*        G  28  12.362   6.986  -4.438
  308    H3*    G  28           H3*        G  28  14.316   7.970  -6.082
  309    H1*    G  28           H1*        G  28  14.950   6.671  -2.533
  310    H8     G  28           H8         G  28  16.204   4.073  -5.136
  311    H1     G  28           H1         G  28  18.368   3.346   0.869
  312   1H2     G  28          1H2         G  28  17.547   4.929   2.163
  313   2H2     G  28          2H2         G  28  16.463   6.163   1.556
  314   1H2*    G  28          1H2*        G  28  16.096   6.543  -5.368
  315   2H2*    G  28          2H2*        G  28  16.260   7.841  -4.193
  316   1H5*    C  29          1H5*        C  29  13.584   9.974  -2.178
  317   2H5*    C  29          2H5*        C  29  13.640  11.735  -1.960
  318    H4*    C  29           H4*        C  29  14.793  10.795  -0.143
  319    H3*    C  29           H3*        C  29  16.164  12.532  -1.840
  320    H1*    C  29           H1*        C  29  17.567   9.428  -0.066
  321   1H4     C  29          1H4         C  29  20.399   4.797  -3.322
  322   2H4     C  29          2H4         C  29  19.800   5.407  -4.848
  323    H5     C  29           H5         C  29  18.399   7.371  -5.022
  324    H6     C  29           H6         C  29  17.298   9.155  -3.775
  325   1H2*    C  29          1H2*        C  29  17.754  10.996  -2.687
  326   2H2*    C  29          2H2*        C  29  18.542  11.341  -1.153
  327   1H5*    C  30          1H5*        C  30  18.324  11.223   2.202
  328   2H5*    C  30          2H5*        C  30  18.091  12.805   2.974
  329    H4*    C  30           H4*        C  30  19.922  12.056   4.087
  330    H3*    C  30           H3*        C  30  20.521  14.164   2.553
  331    H1*    C  30           H1*        C  30  22.788  10.935   2.230
  332   1H4     C  30          1H4         C  30  22.094   7.566  -3.089
  333   2H4     C  30          2H4         C  30  21.006   8.756  -3.768
  334    H5     C  30           H5         C  30  20.278  10.722  -2.548
  335    H6     C  30           H6         C  30  20.449  11.932  -0.438
  336    H3T    C  30           H3T        C  30  21.823  12.678   4.462
  337   1H2*    C  30          1H2*        C  30  21.395  13.091   0.627
  338   2H2*    C  30          2H2*        C  30  22.873  13.188   1.572
  339   1H    ASP  10          1H        ASP  10  -3.670  13.498   8.810
  340    HA   ASP  10           HA       ASP  10  -5.699  12.937   9.623
  341   1HB   ASP  10          1HB       ASP  10  -5.045  14.751  11.187
  342   2HB   ASP  10          2HB       ASP  10  -5.932  15.896  10.185
  343    H    GLU  11           H        GLU  11  -6.546  12.314   7.603
  344    HA   GLU  11           HA       GLU  11  -8.798  13.982   6.783
  345   1HB   GLU  11          1HB       GLU  11  -6.746  12.847   4.870
  346   2HB   GLU  11          2HB       GLU  11  -8.322  13.442   4.374
  347   1HG   GLU  11          1HG       GLU  11  -7.766  15.645   5.233
  348   2HG   GLU  11          2HG       GLU  11  -6.173  15.057   5.701
  349    H    LEU  12           H        LEU  12 -10.464  12.787   5.705
  350    HA   LEU  12           HA       LEU  12 -10.408   9.948   6.307
  351   1HB   LEU  12          1HB       LEU  12 -12.616  11.843   5.542
  352   2HB   LEU  12          2HB       LEU  12 -12.848  10.105   5.591
  353    HG   LEU  12           HG       LEU  12 -12.051  10.220   8.000
  354   1HD1  LEU  12          1HD1      LEU  12 -11.039  12.366   8.043
  355   2HD1  LEU  12          2HD1      LEU  12 -12.427  12.381   9.132
  356   3HD1  LEU  12          3HD1      LEU  12 -12.544  13.143   7.545
  357   1HD2  LEU  12          1HD2      LEU  12 -14.371   9.823   7.398
  358   2HD2  LEU  12          2HD2      LEU  12 -14.641  11.560   7.246
  359   3HD2  LEU  12          3HD2      LEU  12 -14.271  10.860   8.822
  360    H    CYS  13           H        CYS  13 -10.506   8.399   4.832
  361    HA   CYS  13           HA       CYS  13  -9.506   8.837   2.245
  362   1HB   CYS  13          1HB       CYS  13  -9.285   6.736   3.575
  363   2HB   CYS  13          2HB       CYS  13 -10.996   6.430   3.323
  364    HG   CYS  13           HG       CYS  13  -8.867   6.742   0.681
  365    HA   PRO  14           HA       PRO  14 -13.321  10.306   0.438
  366   1HB   PRO  14          1HB       PRO  14 -12.405  10.285  -2.152
  367   2HB   PRO  14          2HB       PRO  14 -12.102  11.587  -0.998
  368   1HG   PRO  14          1HG       PRO  14 -10.335   9.311  -1.796
  369   2HG   PRO  14          2HG       PRO  14  -9.916  11.012  -1.519
  370   1HD   PRO  14          1HD       PRO  14  -9.413   9.119   0.316
  371   2HD   PRO  14          2HD       PRO  14  -9.898  10.763   0.782
  372    H    VAL  15           H        VAL  15 -11.798   7.314  -0.086
  373    HA   VAL  15           HA       VAL  15 -13.806   6.281  -1.893
  374    HB   VAL  15           HB       VAL  15 -11.555   4.855  -0.462
  375   1HG1  VAL  15          1HG1      VAL  15 -13.353   3.902  -2.687
  376   2HG1  VAL  15          2HG1      VAL  15 -13.359   3.321  -1.022
  377   3HG1  VAL  15          3HG1      VAL  15 -11.956   3.033  -2.051
  378   1HG2  VAL  15          1HG2      VAL  15 -10.447   4.873  -2.644
  379   2HG2  VAL  15          2HG2      VAL  15 -10.740   6.505  -2.045
  380   3HG2  VAL  15          3HG2      VAL  15 -11.774   5.829  -3.303
  381    H    CYS  16           H        CYS  16 -12.664   5.283   1.350
  382    HA   CYS  16           HA       CYS  16 -15.116   3.747   1.661
  383   1HB   CYS  16          1HB       CYS  16 -13.963   2.772   3.620
  384   2HB   CYS  16          2HB       CYS  16 -13.032   2.615   2.134
  385    HG   CYS  16           HG       CYS  16 -12.135   3.937   4.983
  386    H    GLY  17           H        GLY  17 -13.920   6.775   2.632
  387   1HA   GLY  17          1HA       GLY  17 -14.850   8.378   4.002
  388   2HA   GLY  17          2HA       GLY  17 -16.207   7.292   4.264
  389    H    ASP  18           H        ASP  18 -12.766   6.821   4.951
  390    HA   ASP  18           HA       ASP  18 -13.321   6.860   7.824
  391   1HB   ASP  18          1HB       ASP  18 -13.404   4.470   6.673
  392   2HB   ASP  18          2HB       ASP  18 -11.652   4.614   6.763
  393    H    LYS  19           H        LYS  19 -11.230   6.866   9.083
  394    HA   LYS  19           HA       LYS  19  -9.648   8.987   8.161
  395   1HB   LYS  19          1HB       LYS  19  -9.143   6.957  10.342
  396   2HB   LYS  19          2HB       LYS  19  -8.120   8.359  10.065
  397   1HG   LYS  19          1HG       LYS  19 -11.056   8.452  10.732
  398   2HG   LYS  19          2HG       LYS  19  -9.735   8.718  11.871
  399   1HD   LYS  19          1HD       LYS  19 -10.304  10.371   9.411
  400   2HD   LYS  19          2HD       LYS  19 -10.678  10.834  11.072
  401   1HE   LYS  19          1HE       LYS  19  -7.915  10.285   9.988
  402   2HE   LYS  19          2HE       LYS  19  -8.611  11.885  10.240
  403   1HZ   LYS  19          1HZ       LYS  19  -8.792  11.379  12.606
  404   2HZ   LYS  19          2HZ       LYS  19  -7.187  11.280  12.072
  405   3HZ   LYS  19          3HZ       LYS  19  -8.074   9.862  12.355
  406    H    VAL  20           H        VAL  20  -7.773   9.135   7.076
  407    HA   VAL  20           HA       VAL  20  -6.806   6.785   5.714
  408    HB   VAL  20           HB       VAL  20  -5.257   8.301   4.564
  409   1HG1  VAL  20          1HG1      VAL  20  -7.498   8.028   3.683
  410   2HG1  VAL  20          2HG1      VAL  20  -6.928   9.676   3.417
  411   3HG1  VAL  20          3HG1      VAL  20  -8.080   9.340   4.709
  412   1HG2  VAL  20          1HG2      VAL  20  -5.391  10.737   4.963
  413   2HG2  VAL  20          2HG2      VAL  20  -4.742   9.854   6.346
  414   3HG2  VAL  20          3HG2      VAL  20  -6.412  10.426   6.370
  415    H    SER  21           H        SER  21  -4.781   5.876   5.870
  416    HA   SER  21           HA       SER  21  -3.463   6.245   8.432
  417   1HB   SER  21          1HB       SER  21  -2.130   4.210   7.556
  418   2HB   SER  21          2HB       SER  21  -3.830   3.970   7.959
  419    HG   SER  21           HG       SER  21  -2.642   3.484   5.655
  420    H    GLY  22           H        GLY  22  -3.161   7.279   5.230
  421   1HA   GLY  22          1HA       GLY  22  -1.074   9.002   5.663
  422   2HA   GLY  22          2HA       GLY  22  -0.318   7.509   5.128
  423    H    TYR  23           H        TYR  23   0.445   8.729   3.342
  424    HA   TYR  23           HA       TYR  23  -1.581   9.387   1.318
  425   1HB   TYR  23          1HB       TYR  23  -0.169  11.262   1.992
  426   2HB   TYR  23          2HB       TYR  23   1.280  10.323   1.668
  427    HD1  TYR  23           HD1      TYR  23  -1.831  11.177  -0.242
  428    HD2  TYR  23           HD2      TYR  23   2.417  11.030  -0.176
  429    HE1  TYR  23           HE1      TYR  23  -1.767  12.072  -2.532
  430    HE2  TYR  23           HE2      TYR  23   2.491  11.918  -2.463
  431    HH   TYR  23           HH       TYR  23   0.030  13.435  -3.924
  432    H    HIS  24           H        HIS  24  -1.835   7.834  -0.175
  433    HA   HIS  24           HA       HIS  24   0.539   6.332  -1.054
  434   1HB   HIS  24          1HB       HIS  24  -2.160   5.066  -0.538
  435   2HB   HIS  24          2HB       HIS  24  -0.713   4.248  -1.102
  436    HD1  HIS  24           HD1      HIS  24   1.392   4.828   0.855
  437    HD2  HIS  24           HD2      HIS  24  -2.577   4.418   2.020
  438    HE1  HIS  24           HE1      HIS  24   1.463   4.168   3.280
  439    HE2  HIS  24           HE2      HIS  24  -0.940   3.661   3.876
  440    H    TYR  25           H        TYR  25   0.446   5.526  -3.183
  441    HA   TYR  25           HA       TYR  25  -0.088   5.442  -5.378
  442   1HB   TYR  25          1HB       TYR  25  -2.872   5.966  -4.317
  443   2HB   TYR  25          2HB       TYR  25  -2.530   5.712  -6.024
  444    HD1  TYR  25           HD1      TYR  25  -2.900   3.596  -6.823
  445    HD2  TYR  25           HD2      TYR  25  -1.750   4.056  -2.756
  446    HE1  TYR  25           HE1      TYR  25  -3.086   1.166  -6.501
  447    HE2  TYR  25           HE2      TYR  25  -1.932   1.630  -2.423
  448    HH   TYR  25           HH       TYR  25  -2.279  -0.552  -5.040
  449    H    GLY  26           H        GLY  26  -2.507   7.875  -4.622
  450   1HA   GLY  26          1HA       GLY  26  -0.785  10.040  -5.469
  451   2HA   GLY  26          2HA       GLY  26  -2.089   9.659  -6.585
  452    H    LEU  27           H        LEU  27  -2.619   9.142  -3.211
  453    HA   LEU  27           HA       LEU  27  -3.791  11.668  -2.641
  454   1HB   LEU  27          1HB       LEU  27  -6.140  11.036  -2.642
  455   2HB   LEU  27          2HB       LEU  27  -5.461  10.912  -4.253
  456    HG   LEU  27           HG       LEU  27  -5.243   8.363  -2.979
  457   1HD1  LEU  27          1HD1      LEU  27  -7.061   9.108  -1.533
  458   2HD1  LEU  27          2HD1      LEU  27  -7.610   7.863  -2.656
  459   3HD1  LEU  27          3HD1      LEU  27  -8.013   9.556  -2.949
  460   1HD2  LEU  27          1HD2      LEU  27  -6.982   9.334  -5.246
  461   2HD2  LEU  27          2HD2      LEU  27  -6.565   7.656  -4.897
  462   3HD2  LEU  27          3HD2      LEU  27  -5.309   8.792  -5.392
  463    H    LEU  28           H        LEU  28  -5.285  11.459  -0.643
  464    HA   LEU  28           HA       LEU  28  -3.843  10.005   1.347
  465   1HB   LEU  28          1HB       LEU  28  -6.359  11.660   1.440
  466   2HB   LEU  28          2HB       LEU  28  -5.751  10.816   2.847
  467    HG   LEU  28           HG       LEU  28  -5.065  13.104   2.980
  468   1HD1  LEU  28          1HD1      LEU  28  -2.730  11.391   2.153
  469   2HD1  LEU  28          2HD1      LEU  28  -3.458  11.453   3.759
  470   3HD1  LEU  28          3HD1      LEU  28  -2.645  12.875   3.105
  471   1HD2  LEU  28          1HD2      LEU  28  -5.247  13.712   0.631
  472   2HD2  LEU  28          2HD2      LEU  28  -3.822  12.741   0.257
  473   3HD2  LEU  28          3HD2      LEU  28  -3.671  14.172   1.278
  474    H    THR  29           H        THR  29  -4.112   7.963   1.866
  475    HA   THR  29           HA       THR  29  -6.709   6.688   1.424
  476    HB   THR  29           HB       THR  29  -5.128   4.700   0.558
  477    HG1  THR  29           HG1      THR  29  -3.928   7.035  -0.548
  478   1HG2  THR  29          1HG2      THR  29  -7.114   5.541  -0.591
  479   2HG2  THR  29          2HG2      THR  29  -5.782   5.317  -1.725
  480   3HG2  THR  29          3HG2      THR  29  -6.202   6.936  -1.166
  481    H    CYS  30           H        CYS  30  -7.048   4.800   2.594
  482    HA   CYS  30           HA       CYS  30  -5.289   4.436   4.896
  483   1HB   CYS  30          1HB       CYS  30  -7.228   3.002   5.703
  484   2HB   CYS  30          2HB       CYS  30  -7.578   4.719   5.517
  485    HG   CYS  30           HG       CYS  30  -9.782   4.096   4.328
  486    H    GLU  31           H        GLU  31  -4.868   2.164   5.568
  487    HA   GLU  31           HA       GLU  31  -3.665   0.692   3.507
  488   1HB   GLU  31          1HB       GLU  31  -4.499  -0.302   6.239
  489   2HB   GLU  31          2HB       GLU  31  -3.296  -1.038   5.189
  490   1HG   GLU  31          1HG       GLU  31  -3.123   1.625   6.574
  491   2HG   GLU  31          2HG       GLU  31  -2.166   0.180   6.900
  492    H    SER  32           H        SER  32  -6.817   0.537   4.950
  493    HA   SER  32           HA       SER  32  -7.689  -1.981   4.209
  494   1HB   SER  32          1HB       SER  32  -8.904  -0.469   5.730
  495   2HB   SER  32          2HB       SER  32  -9.304   0.576   4.367
  496    HG   SER  32           HG       SER  32 -10.446  -1.767   5.180
  497    H    CYS  33           H        CYS  33  -8.046   1.073   2.388
  498    HA   CYS  33           HA       CYS  33  -9.554  -0.083   0.316
  499   1HB   CYS  33          1HB       CYS  33  -7.982   2.484   0.433
  500   2HB   CYS  33          2HB       CYS  33  -8.972   2.020  -0.950
  501    HG   CYS  33           HG       CYS  33 -10.074   3.911   1.113
  502    H    LYS  34           H        LYS  34  -6.062   0.761   0.408
  503    HA   LYS  34           HA       LYS  34  -5.636  -0.214  -2.220
  504   1HB   LYS  34          1HB       LYS  34  -3.270  -0.056  -1.798
  505   2HB   LYS  34          2HB       LYS  34  -4.078   1.362  -1.155
  506   1HG   LYS  34          1HG       LYS  34  -3.591   0.828   1.008
  507   2HG   LYS  34          2HG       LYS  34  -3.543  -0.909   0.686
  508   1HD   LYS  34          1HD       LYS  34  -1.415  -0.753  -0.344
  509   2HD   LYS  34          2HD       LYS  34  -1.499   1.006  -0.416
  510   1HE   LYS  34          1HE       LYS  34   0.018   0.132   1.340
  511   2HE   LYS  34          2HE       LYS  34  -1.261   1.178   1.955
  512   1HZ   LYS  34          1HZ       LYS  34  -1.119  -0.635   3.415
  513   2HZ   LYS  34          2HZ       LYS  34  -1.074  -1.773   2.157
  514   3HZ   LYS  34          3HZ       LYS  34  -2.504  -0.927   2.479
  515    H    GLY  35           H        GLY  35  -5.830  -1.790   0.860
  516   1HA   GLY  35          1HA       GLY  35  -4.580  -4.231   0.143
  517   2HA   GLY  35          2HA       GLY  35  -5.794  -4.026   1.400
  518    H    PHE  36           H        PHE  36  -7.994  -3.228   0.092
  519    HA   PHE  36           HA       PHE  36  -8.895  -5.619  -1.168
  520   1HB   PHE  36          1HB       PHE  36 -10.461  -4.327   0.129
  521   2HB   PHE  36          2HB       PHE  36 -10.181  -2.900  -0.863
  522    HD1  PHE  36           HD1      PHE  36 -11.271  -6.450  -1.256
  523    HD2  PHE  36           HD2      PHE  36 -11.732  -2.397  -2.470
  524    HE1  PHE  36           HE1      PHE  36 -13.132  -7.106  -2.724
  525    HE2  PHE  36           HE2      PHE  36 -13.595  -3.047  -3.939
  526    HZ   PHE  36           HZ       PHE  36 -14.297  -5.404  -4.068
  527    H    PHE  37           H        PHE  37  -8.035  -2.403  -2.314
  528    HA   PHE  37           HA       PHE  37  -8.808  -2.554  -4.960
  529   1HB   PHE  37          1HB       PHE  37  -7.932  -0.519  -3.899
  530   2HB   PHE  37          2HB       PHE  37  -6.334  -1.244  -3.803
  531    HD1  PHE  37           HD1      PHE  37  -8.908  -0.008  -6.146
  532    HD2  PHE  37           HD2      PHE  37  -4.840  -1.139  -5.613
  533    HE1  PHE  37           HE1      PHE  37  -8.359   0.936  -8.351
  534    HE2  PHE  37           HE2      PHE  37  -4.286  -0.199  -7.817
  535    HZ   PHE  37           HZ       PHE  37  -6.047   0.840  -9.189
  536    H    LYS  38           H        LYS  38  -5.625  -3.441  -3.605
  537    HA   LYS  38           HA       LYS  38  -4.695  -4.433  -6.101
  538   1HB   LYS  38          1HB       LYS  38  -3.610  -4.707  -3.308
  539   2HB   LYS  38          2HB       LYS  38  -2.805  -5.371  -4.725
  540   1HG   LYS  38          1HG       LYS  38  -2.723  -3.107  -5.698
  541   2HG   LYS  38          2HG       LYS  38  -3.432  -2.476  -4.211
  542   1HD   LYS  38          1HD       LYS  38  -0.820  -3.966  -4.411
  543   2HD   LYS  38          2HD       LYS  38  -0.991  -2.217  -4.261
  544   1HE   LYS  38          1HE       LYS  38  -2.177  -2.575  -2.112
  545   2HE   LYS  38          2HE       LYS  38  -1.836  -4.300  -2.256
  546   1HZ   LYS  38          1HZ       LYS  38  -0.187  -3.315  -0.872
  547   2HZ   LYS  38          2HZ       LYS  38   0.142  -2.104  -2.009
  548   3HZ   LYS  38          3HZ       LYS  38   0.552  -3.710  -2.343
  549    H    ARG  39           H        ARG  39  -6.249  -5.961  -3.322
  550    HA   ARG  39           HA       ARG  39  -5.803  -8.622  -4.143
  551   1HB   ARG  39          1HB       ARG  39  -7.774  -7.277  -2.378
  552   2HB   ARG  39          2HB       ARG  39  -8.189  -8.883  -2.964
  553   1HG   ARG  39          1HG       ARG  39  -6.093  -9.753  -2.060
  554   2HG   ARG  39          2HG       ARG  39  -5.689  -8.143  -1.463
  555   1HD   ARG  39          1HD       ARG  39  -8.203  -9.587  -0.676
  556   2HD   ARG  39          2HD       ARG  39  -6.688  -9.757   0.211
  557    HE   ARG  39           HE       ARG  39  -7.855  -7.096  -0.196
  558   1HH1  ARG  39          1HH1      ARG  39  -6.841  -9.699   1.892
  559   2HH1  ARG  39          2HH1      ARG  39  -6.984  -8.762   3.351
  560   1HH2  ARG  39          1HH2      ARG  39  -8.053  -5.841   1.723
  561   2HH2  ARG  39          2HH2      ARG  39  -7.670  -6.559   3.253
  562    H    THR  40           H        THR  40  -8.344  -6.314  -4.964
  563    HA   THR  40           HA       THR  40  -9.821  -8.021  -6.658
  564    HB   THR  40           HB       THR  40  -9.553  -5.009  -6.829
  565    HG1  THR  40           HG1      THR  40 -10.254  -5.418  -4.785
  566   1HG2  THR  40          1HG2      THR  40 -11.801  -5.098  -7.797
  567   2HG2  THR  40          2HG2      THR  40 -11.776  -6.858  -7.706
  568   3HG2  THR  40          3HG2      THR  40 -10.655  -6.014  -8.774
  569    H    VAL  41           H        VAL  41  -7.280  -5.633  -7.314
  570    HA   VAL  41           HA       VAL  41  -7.190  -5.930 -10.099
  571    HB   VAL  41           HB       VAL  41  -5.105  -4.994  -8.129
  572   1HG1  VAL  41          1HG1      VAL  41  -4.987  -4.719 -11.129
  573   2HG1  VAL  41          2HG1      VAL  41  -4.027  -5.859 -10.188
  574   3HG1  VAL  41          3HG1      VAL  41  -3.810  -4.120  -9.952
  575   1HG2  VAL  41          1HG2      VAL  41  -5.694  -2.777  -9.009
  576   2HG2  VAL  41          2HG2      VAL  41  -7.083  -3.594  -8.293
  577   3HG2  VAL  41          3HG2      VAL  41  -6.911  -3.522 -10.047
  578    H    GLN  42           H        GLN  42  -5.144  -7.472  -7.594
  579    HA   GLN  42           HA       GLN  42  -3.447  -8.814  -9.372
  580   1HB   GLN  42          1HB       GLN  42  -4.220  -9.442  -6.530
  581   2HB   GLN  42          2HB       GLN  42  -3.033 -10.384  -7.419
  582   1HG   GLN  42          1HG       GLN  42  -1.686  -8.349  -7.728
  583   2HG   GLN  42          2HG       GLN  42  -2.861  -7.451  -6.765
  584   1HE2  GLN  42          1HE2      GLN  42  -2.999  -7.846  -4.554
  585   2HE2  GLN  42          2HE2      GLN  42  -1.743  -8.656  -3.687
  586    H    ASN  43           H        ASN  43  -6.543  -9.829  -7.967
  587    HA   ASN  43           HA       ASN  43  -6.284 -12.465  -9.142
  588   1HB   ASN  43          1HB       ASN  43  -8.483 -11.146  -7.550
  589   2HB   ASN  43          2HB       ASN  43  -8.654 -12.746  -8.258
  590   1HD2  ASN  43          1HD2      ASN  43  -7.216 -10.858  -5.758
  591   2HD2  ASN  43          2HD2      ASN  43  -6.567 -12.184  -4.849
  592    H    ASN  44           H        ASN  44  -7.031  -9.502 -10.334
  593    HA   ASN  44           HA       ASN  44  -8.125  -8.697 -12.163
  594   1HB   ASN  44          1HB       ASN  44  -7.867 -11.607 -12.900
  595   2HB   ASN  44          2HB       ASN  44  -8.723 -10.484 -13.945
  596   1HD2  ASN  44          1HD2      ASN  44  -6.002  -9.428 -12.086
  597   2HD2  ASN  44          2HD2      ASN  44  -4.896  -9.279 -13.406
  598    H    LYS  45           H        LYS  45  -9.557  -9.355  -9.819
  599    HA   LYS  45           HA       LYS  45 -11.922 -10.824 -10.386
  600   1HB   LYS  45          1HB       LYS  45 -10.957  -9.129  -8.122
  601   2HB   LYS  45          2HB       LYS  45 -12.644  -9.601  -8.184
  602   1HG   LYS  45          1HG       LYS  45 -11.977 -11.958  -8.254
  603   2HG   LYS  45          2HG       LYS  45 -10.284 -11.464  -8.153
  604   1HD   LYS  45          1HD       LYS  45 -10.631 -10.508  -5.983
  605   2HD   LYS  45          2HD       LYS  45 -12.373 -10.763  -6.097
  606   1HE   LYS  45          1HE       LYS  45 -11.994 -13.188  -6.153
  607   2HE   LYS  45          2HE       LYS  45 -10.259 -12.911  -5.997
  608   1HZ   LYS  45          1HZ       LYS  45 -12.323 -12.136  -4.006
  609   2HZ   LYS  45          2HZ       LYS  45 -10.660 -11.855  -3.858
  610   3HZ   LYS  45          3HZ       LYS  45 -11.253 -13.442  -3.865
  611    H    HIS  46           H        HIS  46 -13.409 -10.156 -11.732
  612    HA   HIS  46           HA       HIS  46 -14.020  -7.288 -11.862
  613   1HB   HIS  46          1HB       HIS  46 -14.675  -9.534 -13.784
  614   2HB   HIS  46          2HB       HIS  46 -15.237  -7.876 -13.975
  615    HD1  HIS  46           HD1      HIS  46 -13.584  -8.940 -16.219
  616    HD2  HIS  46           HD2      HIS  46 -11.896  -7.116 -12.890
  617    HE1  HIS  46           HE1      HIS  46 -11.294  -8.191 -16.945
  618    HE2  HIS  46           HE2      HIS  46 -10.221  -7.284 -14.849
  619    H    TYR  47           H        TYR  47 -15.264  -7.110 -10.041
  620    HA   TYR  47           HA       TYR  47 -17.402  -8.898  -9.437
  621   1HB   TYR  47          1HB       TYR  47 -16.741  -6.145  -8.377
  622   2HB   TYR  47          2HB       TYR  47 -18.039  -7.153  -7.751
  623    HD1  TYR  47           HD1      TYR  47 -14.514  -6.435  -7.652
  624    HD2  TYR  47           HD2      TYR  47 -17.448  -9.360  -6.680
  625    HE1  TYR  47           HE1      TYR  47 -12.940  -7.488  -6.084
  626    HE2  TYR  47           HE2      TYR  47 -15.879 -10.422  -5.113
  627    HH   TYR  47           HH       TYR  47 -12.996  -8.921  -4.107
  628    H    THR  48           H        THR  48 -19.668  -8.136  -9.193
  629    HA   THR  48           HA       THR  48 -20.445  -6.020 -11.055
  630    HB   THR  48           HB       THR  48 -21.924  -8.654 -11.038
  631    HG1  THR  48           HG1      THR  48 -19.489  -8.333 -11.945
  632   1HG2  THR  48          1HG2      THR  48 -23.088  -6.649 -11.910
  633   2HG2  THR  48          2HG2      THR  48 -22.805  -7.854 -13.162
  634   3HG2  THR  48          3HG2      THR  48 -21.783  -6.420 -13.073
  635    H    CYS  49           H        CYS  49 -22.449  -5.032 -10.508
  636    HA   CYS  49           HA       CYS  49 -23.243  -5.574  -7.715
  637   1HB   CYS  49          1HB       CYS  49 -21.972  -3.448  -8.160
  638   2HB   CYS  49          2HB       CYS  49 -23.304  -2.922  -9.182
  639    HG   CYS  49           HG       CYS  49 -24.572  -1.773  -7.284
  640    H    THR  50           H        THR  50 -24.342  -6.490 -10.410
  641    HA   THR  50           HA       THR  50 -26.310  -6.821 -11.478
  642    HB   THR  50           HB       THR  50 -27.619  -5.655  -9.012
  643    HG1  THR  50           HG1      THR  50 -26.135  -7.529  -8.717
  644   1HG2  THR  50          1HG2      THR  50 -28.665  -7.543 -11.128
  645   2HG2  THR  50          2HG2      THR  50 -29.115  -5.848 -10.942
  646   3HG2  THR  50          3HG2      THR  50 -29.541  -7.015  -9.691
  647    H    GLU  51           H        GLU  51 -27.246  -3.924  -9.651
  648    HA   GLU  51           HA       GLU  51 -27.152  -2.360 -12.132
  649   1HB   GLU  51          1HB       GLU  51 -29.389  -2.334 -10.096
  650   2HB   GLU  51          2HB       GLU  51 -29.228  -1.198 -11.425
  651   1HG   GLU  51          1HG       GLU  51 -29.420  -3.053 -13.017
  652   2HG   GLU  51          2HG       GLU  51 -29.633  -4.168 -11.666
  653    H    SER  52           H        SER  52 -27.412   0.059 -11.507
  654    HA   SER  52           HA       SER  52 -26.211   1.805 -10.700
  655   1HB   SER  52          1HB       SER  52 -26.413   2.134  -8.207
  656   2HB   SER  52          2HB       SER  52 -27.938   1.849  -9.040
  657    HG   SER  52           HG       SER  52 -26.784  -0.469  -8.204
  658    H    GLN  53           H        GLN  53 -24.299   0.843 -11.611
  659    HA   GLN  53           HA       GLN  53 -22.576  -0.835 -10.125
  660   1HB   GLN  53          1HB       GLN  53 -21.898   0.956 -12.463
  661   2HB   GLN  53          2HB       GLN  53 -20.963  -0.423 -11.900
  662   1HG   GLN  53          1HG       GLN  53 -22.818  -1.914 -12.454
  663   2HG   GLN  53          2HG       GLN  53 -23.753  -0.531 -13.025
  664   1HE2  GLN  53          1HE2      GLN  53 -22.954  -2.887 -14.495
  665   2HE2  GLN  53          2HE2      GLN  53 -21.995  -2.336 -15.829
  666    H    SER  54           H        SER  54 -23.087   2.554 -10.103
  667    HA   SER  54           HA       SER  54 -20.726   2.884  -8.383
  668   1HB   SER  54          1HB       SER  54 -20.931   5.326  -8.885
  669   2HB   SER  54          2HB       SER  54 -20.598   4.351 -10.316
  670    HG   SER  54           HG       SER  54 -23.232   5.041  -9.549
  671    H    CYS  55           H        CYS  55 -22.013   1.934  -6.666
  672    HA   CYS  55           HA       CYS  55 -24.290   3.401  -5.683
  673   1HB   CYS  55          1HB       CYS  55 -22.693   1.134  -4.475
  674   2HB   CYS  55          2HB       CYS  55 -24.138   1.826  -3.748
  675    HG   CYS  55           HG       CYS  55 -24.456   0.729  -6.923
  676    H    LYS  56           H        LYS  56 -24.303   4.118  -3.362
  677    HA   LYS  56           HA       LYS  56 -22.203   6.017  -2.949
  678   1HB   LYS  56          1HB       LYS  56 -24.520   5.243  -1.162
  679   2HB   LYS  56          2HB       LYS  56 -23.488   6.650  -0.946
  680   1HG   LYS  56          1HG       LYS  56 -24.301   7.642  -2.959
  681   2HG   LYS  56          2HG       LYS  56 -25.182   6.173  -3.385
  682   1HD   LYS  56          1HD       LYS  56 -26.589   6.459  -1.392
  683   2HD   LYS  56          2HD       LYS  56 -25.720   7.945  -1.004
  684   1HE   LYS  56          1HE       LYS  56 -26.501   8.992  -3.018
  685   2HE   LYS  56          2HE       LYS  56 -27.225   7.482  -3.573
  686   1HZ   LYS  56          1HZ       LYS  56 -28.053   8.971  -1.139
  687   2HZ   LYS  56          2HZ       LYS  56 -28.782   7.571  -1.759
  688   3HZ   LYS  56          3HZ       LYS  56 -28.858   9.021  -2.632
  689    H    ILE  57           H        ILE  57 -20.290   5.398  -2.200
  690    HA   ILE  57           HA       ILE  57 -20.021   3.039  -0.564
  691    HB   ILE  57           HB       ILE  57 -17.865   5.045  -1.241
  692   1HG1  ILE  57          1HG1      ILE  57 -18.961   4.200  -3.288
  693   2HG1  ILE  57          2HG1      ILE  57 -17.305   3.616  -3.145
  694   1HG2  ILE  57          1HG2      ILE  57 -17.319   3.510   0.575
  695   2HG2  ILE  57          2HG2      ILE  57 -16.360   3.147  -0.860
  696   3HG2  ILE  57          3HG2      ILE  57 -17.743   2.134  -0.446
  697   1HD1  ILE  57          1HD1      ILE  57 -18.796   1.863  -3.919
  698   2HD1  ILE  57          2HD1      ILE  57 -19.805   2.066  -2.486
  699   3HD1  ILE  57          3HD1      ILE  57 -18.153   1.469  -2.325
  700    H    ASP  58           H        ASP  58 -20.706   3.216   1.445
  701    HA   ASP  58           HA       ASP  58 -19.995   5.624   2.989
  702   1HB   ASP  58          1HB       ASP  58 -22.357   3.771   3.134
  703   2HB   ASP  58          2HB       ASP  58 -21.856   4.666   4.562
  704    H    LYS  59           H        LYS  59 -19.881   5.076   5.428
  705    HA   LYS  59           HA       LYS  59 -17.826   3.241   5.922
  706   1HB   LYS  59          1HB       LYS  59 -19.882   4.429   7.787
  707   2HB   LYS  59          2HB       LYS  59 -18.529   3.450   8.335
  708   1HG   LYS  59          1HG       LYS  59 -16.983   5.093   7.328
  709   2HG   LYS  59          2HG       LYS  59 -18.373   6.093   6.901
  710   1HD   LYS  59          1HD       LYS  59 -17.296   6.841   8.981
  711   2HD   LYS  59          2HD       LYS  59 -18.962   6.322   9.245
  712   1HE   LYS  59          1HE       LYS  59 -18.136   4.139  10.027
  713   2HE   LYS  59          2HE       LYS  59 -16.479   4.698   9.801
  714   1HZ   LYS  59          1HZ       LYS  59 -18.411   6.070  11.578
  715   2HZ   LYS  59          2HZ       LYS  59 -16.725   6.281  11.509
  716   3HZ   LYS  59          3HZ       LYS  59 -17.380   4.841  12.122
  717    H    THR  60           H        THR  60 -21.253   2.824   5.706
  718    HA   THR  60           HA       THR  60 -21.186   0.176   6.883
  719    HB   THR  60           HB       THR  60 -23.614   0.148   6.357
  720    HG1  THR  60           HG1      THR  60 -24.306   1.501   4.903
  721   1HG2  THR  60          1HG2      THR  60 -22.839   1.027   8.501
  722   2HG2  THR  60          2HG2      THR  60 -24.261   1.906   7.938
  723   3HG2  THR  60          3HG2      THR  60 -22.660   2.630   7.788
  724    H    GLN  61           H        GLN  61 -21.828   1.622   3.691
  725    HA   GLN  61           HA       GLN  61 -22.360  -0.956   2.529
  726   1HB   GLN  61          1HB       GLN  61 -22.139   1.744   1.203
  727   2HB   GLN  61          2HB       GLN  61 -22.736   0.277   0.443
  728   1HG   GLN  61          1HG       GLN  61 -24.507   0.224   2.242
  729   2HG   GLN  61          2HG       GLN  61 -23.989   1.855   2.664
  730   1HE2  GLN  61          1HE2      GLN  61 -25.912   2.798   2.109
  731   2HE2  GLN  61          2HE2      GLN  61 -26.437   2.953   0.468
  732    H    ARG  62           H        ARG  62 -19.497   0.484   3.262
  733    HA   ARG  62           HA       ARG  62 -18.100  -0.003   0.829
  734   1HB   ARG  62          1HB       ARG  62 -16.046   0.344   2.147
  735   2HB   ARG  62          2HB       ARG  62 -17.221   1.631   2.360
  736   1HG   ARG  62          1HG       ARG  62 -17.919   0.484   4.490
  737   2HG   ARG  62          2HG       ARG  62 -16.505  -0.555   4.289
  738   1HD   ARG  62          1HD       ARG  62 -15.073   1.441   4.229
  739   2HD   ARG  62          2HD       ARG  62 -16.492   2.454   4.477
  740    HE   ARG  62           HE       ARG  62 -16.082   0.453   6.518
  741   1HH1  ARG  62          1HH1      ARG  62 -15.521   3.758   5.497
  742   2HH1  ARG  62          2HH1      ARG  62 -15.038   4.294   7.076
  743   1HH2  ARG  62          1HH2      ARG  62 -15.469   1.172   8.605
  744   2HH2  ARG  62          2HH2      ARG  62 -14.973   2.830   8.830
  745    H    LYS  63           H        LYS  63 -19.174  -2.024   3.361
  746    HA   LYS  63           HA       LYS  63 -17.472  -4.229   2.468
  747   1HB   LYS  63          1HB       LYS  63 -19.571  -4.092   4.639
  748   2HB   LYS  63          2HB       LYS  63 -18.686  -5.549   4.214
  749   1HG   LYS  63          1HG       LYS  63 -16.580  -4.179   4.718
  750   2HG   LYS  63          2HG       LYS  63 -17.679  -3.053   5.519
  751   1HD   LYS  63          1HD       LYS  63 -18.488  -4.835   6.964
  752   2HD   LYS  63          2HD       LYS  63 -17.449  -5.997   6.141
  753   1HE   LYS  63          1HE       LYS  63 -16.377  -5.395   8.180
  754   2HE   LYS  63          2HE       LYS  63 -15.485  -4.629   6.867
  755   1HZ   LYS  63          1HZ       LYS  63 -17.561  -3.238   8.464
  756   2HZ   LYS  63          2HZ       LYS  63 -16.473  -2.542   7.373
  757   3HZ   LYS  63          3HZ       LYS  63 -15.910  -3.186   8.839
  758    H    ARG  64           H        ARG  64 -20.263  -2.762   1.504
  759    HA   ARG  64           HA       ARG  64 -21.759  -5.194   0.922
  760   1HB   ARG  64          1HB       ARG  64 -22.419  -2.273   0.873
  761   2HB   ARG  64          2HB       ARG  64 -23.417  -3.410  -0.024
  762   1HG   ARG  64          1HG       ARG  64 -23.950  -4.611   1.990
  763   2HG   ARG  64          2HG       ARG  64 -22.830  -3.615   2.921
  764   1HD   ARG  64          1HD       ARG  64 -25.279  -3.016   3.113
  765   2HD   ARG  64          2HD       ARG  64 -24.189  -1.698   2.691
  766    HE   ARG  64           HE       ARG  64 -24.951  -2.316   0.287
  767   1HH1  ARG  64          1HH1      ARG  64 -26.976  -2.413   3.155
  768   2HH1  ARG  64          2HH1      ARG  64 -28.415  -1.954   2.295
  769   1HH2  ARG  64          1HH2      ARG  64 -26.823  -1.724  -0.826
  770   2HH2  ARG  64          2HH2      ARG  64 -28.338  -1.575   0.025
  771    H    CYS  65           H        CYS  65 -20.562  -2.352  -0.879
  772    HA   CYS  65           HA       CYS  65 -20.882  -3.919  -3.344
  773   1HB   CYS  65          1HB       CYS  65 -20.710  -0.940  -2.894
  774   2HB   CYS  65          2HB       CYS  65 -20.693  -1.687  -4.488
  775    HG   CYS  65           HG       CYS  65 -23.233  -1.722  -4.762
  776    HA   PRO  66           HA       PRO  66 -16.352  -4.092  -3.037
  777   1HB   PRO  66          1HB       PRO  66 -16.710  -6.154  -5.103
  778   2HB   PRO  66          2HB       PRO  66 -15.936  -6.276  -3.522
  779   1HG   PRO  66          1HG       PRO  66 -18.296  -7.453  -4.034
  780   2HG   PRO  66          2HG       PRO  66 -17.912  -6.773  -2.441
  781   1HD   PRO  66          1HD       PRO  66 -19.581  -5.614  -4.646
  782   2HD   PRO  66          2HD       PRO  66 -19.882  -5.628  -2.893
  783    H    PHE  67           H        PHE  67 -18.152  -4.479  -6.093
  784    HA   PHE  67           HA       PHE  67 -16.114  -3.509  -7.768
  785   1HB   PHE  67          1HB       PHE  67 -18.006  -4.816  -8.626
  786   2HB   PHE  67          2HB       PHE  67 -19.109  -3.504  -8.221
  787    HD1  PHE  67           HD1      PHE  67 -19.491  -1.752  -9.725
  788    HD2  PHE  67           HD2      PHE  67 -16.210  -4.388 -10.353
  789    HE1  PHE  67           HE1      PHE  67 -19.112  -0.749 -11.940
  790    HE2  PHE  67           HE2      PHE  67 -15.829  -3.392 -12.568
  791    HZ   PHE  67           HZ       PHE  67 -17.281  -1.570 -13.365
  792    H    CYS  68           H        CYS  68 -18.846  -1.888  -6.217
  793    HA   CYS  68           HA       CYS  68 -18.473   0.613  -7.452
  794   1HB   CYS  68          1HB       CYS  68 -19.701   0.051  -4.744
  795   2HB   CYS  68          2HB       CYS  68 -19.950   1.490  -5.730
  796    HG   CYS  68           HG       CYS  68 -21.067  -0.175  -7.858
  797    H    ARG  69           H        ARG  69 -17.107  -0.824  -4.527
  798    HA   ARG  69           HA       ARG  69 -15.848   1.588  -3.667
  799   1HB   ARG  69          1HB       ARG  69 -16.330  -0.273  -2.113
  800   2HB   ARG  69          2HB       ARG  69 -15.150  -1.267  -2.959
  801   1HG   ARG  69          1HG       ARG  69 -13.370   0.239  -2.320
  802   2HG   ARG  69          2HG       ARG  69 -14.531   1.321  -1.550
  803   1HD   ARG  69          1HD       ARG  69 -15.118  -0.438   0.037
  804   2HD   ARG  69          2HD       ARG  69 -13.969  -1.528  -0.740
  805    HE   ARG  69           HE       ARG  69 -12.519   0.705  -0.032
  806   1HH1  ARG  69          1HH1      ARG  69 -14.474  -1.660   1.624
  807   2HH1  ARG  69          2HH1      ARG  69 -13.533  -1.621   3.079
  808   1HH2  ARG  69          1HH2      ARG  69 -11.275   0.796   1.894
  809   2HH2  ARG  69          2HH2      ARG  69 -11.703  -0.216   3.240
  810    H    PHE  70           H        PHE  70 -14.934  -1.113  -5.704
  811    HA   PHE  70           HA       PHE  70 -12.216  -0.450  -6.034
  812   1HB   PHE  70          1HB       PHE  70 -13.126  -2.622  -6.705
  813   2HB   PHE  70          2HB       PHE  70 -14.115  -1.844  -7.935
  814    HD1  PHE  70           HD1      PHE  70 -13.312  -1.646 -10.093
  815    HD2  PHE  70           HD2      PHE  70 -10.570  -2.297  -6.906
  816    HE1  PHE  70           HE1      PHE  70 -11.488  -1.906 -11.722
  817    HE2  PHE  70           HE2      PHE  70  -8.740  -2.557  -8.530
  818    HZ   PHE  70           HZ       PHE  70  -9.197  -2.361 -10.941
  819    H    GLN  71           H        GLN  71 -15.084   0.372  -7.988
  820    HA   GLN  71           HA       GLN  71 -13.645   2.045  -9.768
  821   1HB   GLN  71          1HB       GLN  71 -15.753   2.673 -10.682
  822   2HB   GLN  71          2HB       GLN  71 -15.867   0.981 -10.251
  823   1HG   GLN  71          1HG       GLN  71 -17.892   1.788  -9.554
  824   2HG   GLN  71          2HG       GLN  71 -16.948   1.843  -8.070
  825   1HE2  GLN  71          1HE2      GLN  71 -16.650   4.131 -10.729
  826   2HE2  GLN  71          2HE2      GLN  71 -17.248   5.495  -9.851
  827    H    LYS  72           H        LYS  72 -15.199   2.570  -6.682
  828    HA   LYS  72           HA       LYS  72 -15.111   5.342  -6.521
  829   1HB   LYS  72          1HB       LYS  72 -16.159   3.731  -4.909
  830   2HB   LYS  72          2HB       LYS  72 -14.550   3.354  -4.315
  831   1HG   LYS  72          1HG       LYS  72 -15.669   4.905  -2.850
  832   2HG   LYS  72          2HG       LYS  72 -14.273   5.672  -3.612
  833   1HD   LYS  72          1HD       LYS  72 -15.602   6.966  -5.011
  834   2HD   LYS  72          2HD       LYS  72 -17.011   5.928  -4.796
  835   1HE   LYS  72          1HE       LYS  72 -17.333   6.683  -2.588
  836   2HE   LYS  72          2HE       LYS  72 -15.786   7.527  -2.567
  837   1HZ   LYS  72          1HZ       LYS  72 -16.618   9.077  -4.189
  838   2HZ   LYS  72          2HZ       LYS  72 -17.675   9.033  -2.866
  839   3HZ   LYS  72          3HZ       LYS  72 -18.089   8.241  -4.306
  840    H    CYS  73           H        CYS  73 -12.644   2.916  -5.708
  841    HA   CYS  73           HA       CYS  73 -10.630   4.659  -4.848
  842   1HB   CYS  73          1HB       CYS  73 -10.334   2.004  -6.276
  843   2HB   CYS  73          2HB       CYS  73  -9.072   2.818  -5.360
  844    HG   CYS  73           HG       CYS  73 -11.972   1.526  -4.080
  845    H    LEU  74           H        LEU  74 -11.438   3.442  -8.073
  846    HA   LEU  74           HA       LEU  74  -9.304   4.733  -9.425
  847   1HB   LEU  74          1HB       LEU  74 -11.995   3.888 -10.476
  848   2HB   LEU  74          2HB       LEU  74 -10.600   4.298 -11.453
  849    HG   LEU  74           HG       LEU  74 -10.769   1.972  -9.541
  850   1HD1  LEU  74          1HD1      LEU  74 -12.196   1.708 -11.491
  851   2HD1  LEU  74          2HD1      LEU  74 -10.807   0.619 -11.565
  852   3HD1  LEU  74          3HD1      LEU  74 -10.834   2.087 -12.544
  853   1HD2  LEU  74          1HD2      LEU  74  -8.510   2.858  -9.750
  854   2HD2  LEU  74          2HD2      LEU  74  -8.634   2.785 -11.507
  855   3HD2  LEU  74          3HD2      LEU  74  -8.650   1.298 -10.558
  856    H    THR  75           H        THR  75 -12.618   5.667  -8.690
  857    HA   THR  75           HA       THR  75 -12.831   8.000 -10.170
  858    HB   THR  75           HB       THR  75 -13.973   7.352  -7.446
  859    HG1  THR  75           HG1      THR  75 -14.623   6.000  -9.235
  860   1HG2  THR  75          1HG2      THR  75 -13.969   9.771  -7.800
  861   2HG2  THR  75          2HG2      THR  75 -15.611   9.124  -7.875
  862   3HG2  THR  75          3HG2      THR  75 -14.761   9.551  -9.362
  863    H    VAL  76           H        VAL  76 -11.508   7.547  -6.902
  864    HA   VAL  76           HA       VAL  76 -10.866  10.333  -6.651
  865    HB   VAL  76           HB       VAL  76  -9.798   9.757  -4.544
  866   1HG1  VAL  76          1HG1      VAL  76 -11.747   8.837  -3.388
  867   2HG1  VAL  76          2HG1      VAL  76 -12.424   8.327  -4.936
  868   3HG1  VAL  76          3HG1      VAL  76 -12.215  10.043  -4.587
  869   1HG2  VAL  76          1HG2      VAL  76  -9.755   7.442  -3.739
  870   2HG2  VAL  76          2HG2      VAL  76  -8.750   7.659  -5.172
  871   3HG2  VAL  76          3HG2      VAL  76 -10.332   6.890  -5.311
  872    H    GLY  77           H        GLY  77  -9.323   7.610  -8.078
  873   1HA   GLY  77          1HA       GLY  77  -7.602   8.139  -9.671
  874   2HA   GLY  77          2HA       GLY  77  -7.032   9.393  -8.587
  875    H    MET  78           H        MET  78  -7.801   6.188  -7.369
  876    HA   MET  78           HA       MET  78  -5.078   5.760  -6.610
  877   1HB   MET  78          1HB       MET  78  -7.453   3.890  -6.589
  878   2HB   MET  78          2HB       MET  78  -5.871   3.487  -5.935
  879   1HG   MET  78          1HG       MET  78  -6.101   5.485  -4.431
  880   2HG   MET  78          2HG       MET  78  -7.774   5.604  -4.973
  881   1HE   MET  78          1HE       MET  78  -6.063   1.950  -2.752
  882   2HE   MET  78          2HE       MET  78  -5.107   3.352  -3.242
  883   3HE   MET  78          3HE       MET  78  -5.777   2.269  -4.463
  884    H    ARG  79           H        ARG  79  -3.591   5.365  -8.051
  885    HA   ARG  79           HA       ARG  79  -4.217   4.754 -10.729
  886   1HB   ARG  79          1HB       ARG  79  -1.500   4.696  -9.409
  887   2HB   ARG  79          2HB       ARG  79  -1.829   4.869 -11.127
  888   1HG   ARG  79          1HG       ARG  79  -2.651   6.849  -9.011
  889   2HG   ARG  79          2HG       ARG  79  -1.228   6.996 -10.042
  890   1HD   ARG  79          1HD       ARG  79  -2.482   7.385 -11.944
  891   2HD   ARG  79          2HD       ARG  79  -3.920   6.614 -11.279
  892    HE   ARG  79           HE       ARG  79  -3.264   8.930  -9.789
  893   1HH1  ARG  79          1HH1      ARG  79  -4.532   7.976 -12.904
  894   2HH1  ARG  79          2HH1      ARG  79  -5.602   9.341 -13.031
  895   1HH2  ARG  79          1HH2      ARG  79  -4.651  10.734  -9.940
  896   2HH2  ARG  79          2HH2      ARG  79  -5.687  10.906 -11.333
  897    H    LEU  80           H        LEU  80  -4.507   2.912 -11.706
  898    HA   LEU  80           HA       LEU  80  -4.057   0.347 -10.569
  899   1HB   LEU  80          1HB       LEU  80  -4.397   1.166 -13.459
  900   2HB   LEU  80          2HB       LEU  80  -4.495  -0.476 -12.857
  901    HG   LEU  80           HG       LEU  80  -6.358   1.634 -11.824
  902   1HD1  LEU  80          1HD1      LEU  80  -7.943   1.021 -13.561
  903   2HD1  LEU  80          2HD1      LEU  80  -6.745  -0.047 -14.296
  904   3HD1  LEU  80          3HD1      LEU  80  -6.473   1.696 -14.268
  905   1HD2  LEU  80          1HD2      LEU  80  -6.245  -0.506 -10.644
  906   2HD2  LEU  80          2HD2      LEU  80  -6.570  -1.360 -12.153
  907   3HD2  LEU  80          3HD2      LEU  80  -7.800  -0.308 -11.454
  908    H    GLU  81           H        GLU  81  -2.185   2.593 -12.317
  909    HA   GLU  81           HA       GLU  81  -0.116   0.954 -13.297
  910   1HB   GLU  81          1HB       GLU  81   0.111   3.813 -12.351
  911   2HB   GLU  81          2HB       GLU  81   1.139   3.001 -13.524
  912   1HG   GLU  81          1HG       GLU  81  -0.493   3.037 -15.169
  913   2HG   GLU  81          2HG       GLU  81  -1.794   3.293 -14.006
  914    H    ALA  82           H        ALA  82  -0.888   2.034 -10.111
  915    HA   ALA  82           HA       ALA  82   1.790   1.840  -9.070
  916   1HB   ALA  82          1HB       ALA  82   0.198   3.453  -8.144
  917   2HB   ALA  82          2HB       ALA  82   0.784   2.337  -6.912
  918   3HB   ALA  82          3HB       ALA  82  -0.826   2.126  -7.598
  919    H    VAL  83           H        VAL  83  -1.077  -0.203  -9.169
  920    HA   VAL  83           HA       VAL  83   0.087  -2.171  -7.423
  921    HB   VAL  83           HB       VAL  83  -2.301  -2.082  -7.371
  922   1HG1  VAL  83          1HG1      VAL  83  -2.289  -2.587 -10.331
  923   2HG1  VAL  83          2HG1      VAL  83  -2.725  -1.078  -9.530
  924   3HG1  VAL  83          3HG1      VAL  83  -3.719  -2.518  -9.301
  925   1HG2  VAL  83          1HG2      VAL  83  -1.355  -4.298  -7.118
  926   2HG2  VAL  83          2HG2      VAL  83  -1.431  -4.547  -8.862
  927   3HG2  VAL  83          3HG2      VAL  83  -2.919  -4.385  -7.930
  928    H    ARG  84           H        ARG  84   1.954  -2.913  -8.226
  929    HA   ARG  84           HA       ARG  84   2.066  -3.880 -10.970
  930   1HB   ARG  84          1HB       ARG  84   4.244  -3.826  -8.870
  931   2HB   ARG  84          2HB       ARG  84   4.453  -4.153 -10.585
  932   1HG   ARG  84          1HG       ARG  84   3.727  -1.877 -11.107
  933   2HG   ARG  84          2HG       ARG  84   3.530  -1.549  -9.384
  934   1HD   ARG  84          1HD       ARG  84   5.636  -0.654 -10.088
  935   2HD   ARG  84          2HD       ARG  84   5.943  -2.062  -9.075
  936    HE   ARG  84           HE       ARG  84   5.897  -2.961 -11.705
  937   1HH1  ARG  84          1HH1      ARG  84   7.840  -0.861  -9.683
  938   2HH1  ARG  84          2HH1      ARG  84   9.268  -1.029 -10.667
  939   1HH2  ARG  84          1HH2      ARG  84   7.766  -3.210 -12.973
  940   2HH2  ARG  84          2HH2      ARG  84   9.233  -2.389 -12.528
  941    H    ALA  85           H        ALA  85   1.147  -5.808 -11.230
  942    HA   ALA  85           HA       ALA  85   0.892  -7.724  -9.133
  943   1HB   ALA  85          1HB       ALA  85  -0.767  -7.496 -10.917
  944   2HB   ALA  85          2HB       ALA  85  -0.142  -9.142 -10.818
  945   3HB   ALA  85          3HB       ALA  85   0.420  -8.061 -12.092
  946    H    ASP  86           H        ASP  86   3.516  -6.905 -10.885
  947    HA   ASP  86           HA       ASP  86   4.650  -9.525 -11.311
  948   1HB   ASP  86          1HB       ASP  86   5.121  -7.517 -12.763
  949   2HB   ASP  86          2HB       ASP  86   6.015  -6.825 -11.417
  950    H    ARG  87           H        ARG  87   3.919  -8.073  -8.608
  951    HA   ARG  87           HA       ARG  87   4.502  -8.382  -6.439
  952   1HB   ARG  87          1HB       ARG  87   5.307 -10.651  -7.389
  953   2HB   ARG  87          2HB       ARG  87   6.920  -9.964  -7.278
  954   1HG   ARG  87          1HG       ARG  87   6.482 -11.289  -5.327
  955   2HG   ARG  87          2HG       ARG  87   6.556  -9.588  -4.863
  956   1HD   ARG  87          1HD       ARG  87   4.701 -10.726  -3.756
  957   2HD   ARG  87          2HD       ARG  87   4.116  -9.473  -4.854
  958    HE   ARG  87           HE       ARG  87   4.248 -12.209  -5.883
  959   1HH1  ARG  87          1HH1      ARG  87   2.303  -9.611  -4.581
  960   2HH1  ARG  87          2HH1      ARG  87   0.805 -10.241  -5.193
  961   1HH2  ARG  87          1HH2      ARG  87   2.268 -13.073  -6.666
  962   2HH2  ARG  87          2HH2      ARG  87   0.788 -12.218  -6.365
  963    H    MET  88           H        MET  88   5.743  -6.384  -8.364
  964    HA   MET  88           HA       MET  88   8.249  -5.704  -7.091
  965   1HB   MET  88          1HB       MET  88   6.623  -4.419  -9.278
  966   2HB   MET  88          2HB       MET  88   8.063  -3.663  -8.610
  967   1HG   MET  88          1HG       MET  88   8.061  -6.427  -9.761
  968   2HG   MET  88          2HG       MET  88   8.371  -4.986 -10.728
  969   1HE   MET  88          1HE       MET  88  11.637  -3.592  -9.109
  970   2HE   MET  88          2HE       MET  88   9.974  -3.139  -8.737
  971   3HE   MET  88          3HE       MET  88  10.461  -3.410 -10.410
  972    H    ARG  89           H        ARG  89   8.106  -4.950  -5.115
  973    HA   ARG  89           HA       ARG  89   5.826  -3.379  -4.264
  974   1HB   ARG  89          1HB       ARG  89   8.246  -4.374  -2.753
  975   2HB   ARG  89          2HB       ARG  89   6.899  -3.509  -2.024
  976   1HG   ARG  89          1HG       ARG  89   5.383  -5.305  -2.703
  977   2HG   ARG  89          2HG       ARG  89   6.745  -6.176  -3.413
  978   1HD   ARG  89          1HD       ARG  89   7.810  -6.318  -1.231
  979   2HD   ARG  89          2HD       ARG  89   6.483  -5.406  -0.511
  980    HE   ARG  89           HE       ARG  89   5.430  -7.654  -1.800
  981   1HH1  ARG  89          1HH1      ARG  89   7.448  -6.872   0.932
  982   2HH1  ARG  89          2HH1      ARG  89   6.939  -8.239   1.874
  983   1HH2  ARG  89          1HH2      ARG  89   4.742  -9.467  -0.566
  984   2HH2  ARG  89          2HH2      ARG  89   5.398  -9.714   1.027
  985    H    GLY  90           H        GLY  90   6.822  -1.819  -6.045
  986   1HA   GLY  90          1HA       GLY  90   7.223   0.609  -5.027
  987   2HA   GLY  90          2HA       GLY  90   8.844  -0.061  -4.919
  988    H    GLY  91           H        GLY  91   8.958   1.999  -6.332
  989   1HA   GLY  91          1HA       GLY  91  10.083   1.753  -8.641
  990   2HA   GLY  91          2HA       GLY  91   8.452   1.336  -9.149
  991    H    ARG  92           H        ARG  92  10.250   3.892  -7.444
  992    HA   ARG  92           HA       ARG  92   8.172   5.815  -8.060
  993   1HB   ARG  92          1HB       ARG  92  10.892   6.260  -6.806
  994   2HB   ARG  92          2HB       ARG  92   9.565   7.412  -6.844
  995   1HG   ARG  92          1HG       ARG  92   8.261   6.060  -5.358
  996   2HG   ARG  92          2HG       ARG  92   9.437   4.746  -5.446
  997   1HD   ARG  92          1HD       ARG  92  11.121   6.196  -4.407
  998   2HD   ARG  92          2HD       ARG  92   9.938   7.498  -4.311
  999    HE   ARG  92           HE       ARG  92   8.651   5.826  -2.857
 1000   1HH1  ARG  92          1HH1      ARG  92  12.154   5.944  -3.027
 1001   2HH1  ARG  92          2HH1      ARG  92  12.373   5.438  -1.386
 1002   1HH2  ARG  92          1HH2      ARG  92   8.941   5.168  -0.690
 1003   2HH2  ARG  92          2HH2      ARG  92  10.549   4.991  -0.054
 1004    H    ASN  93           H        ASN  93   8.249   5.740 -10.346
 1005    HA   ASN  93           HA       ASN  93  10.489   7.255 -11.490
 1006   1HB   ASN  93          1HB       ASN  93   9.313   4.693 -12.569
 1007   2HB   ASN  93          2HB       ASN  93  10.250   5.799 -13.566
 1008   1HD2  ASN  93          1HD2      ASN  93  12.449   6.019 -13.209
 1009   2HD2  ASN  93          2HD2      ASN  93  13.342   4.871 -12.267
 1010    H    LYS  94           H        LYS  94   7.561   5.746 -12.846
 1011    HA   LYS  94           HA       LYS  94   6.957   7.987 -14.461
 1012   1HB   LYS  94          1HB       LYS  94   6.207   5.657 -14.922
 1013   2HB   LYS  94          2HB       LYS  94   5.088   5.781 -13.571
 1014   1HG   LYS  94          1HG       LYS  94   3.925   7.608 -14.699
 1015   2HG   LYS  94          2HG       LYS  94   5.047   7.483 -16.054
 1016   1HD   LYS  94          1HD       LYS  94   4.296   5.161 -16.420
 1017   2HD   LYS  94          2HD       LYS  94   3.127   5.356 -15.111
 1018   1HE   LYS  94          1HE       LYS  94   3.218   7.062 -17.594
 1019   2HE   LYS  94          2HE       LYS  94   2.162   5.668 -17.381
 1020   1HZ   LYS  94          1HZ       LYS  94   2.145   8.030 -15.578
 1021   2HZ   LYS  94          2HZ       LYS  94   1.024   6.751 -15.623
 1022   3HZ   LYS  94          3HZ       LYS  94   1.110   7.850 -16.910
 1023    H    PHE  95           H        PHE  95   6.007   7.052 -11.239
 1024    HA   PHE  95           HA       PHE  95   4.021   9.149 -11.024
 1025   1HB   PHE  95          1HB       PHE  95   5.155   7.373  -8.854
 1026   2HB   PHE  95          2HB       PHE  95   3.709   8.370  -8.744
 1027    HD1  PHE  95           HD1      PHE  95   1.944   7.853 -10.699
 1028    HD2  PHE  95           HD2      PHE  95   4.862   5.146  -9.194
 1029    HE1  PHE  95           HE1      PHE  95   0.585   5.957 -11.479
 1030    HE2  PHE  95           HE2      PHE  95   3.510   3.248  -9.973
 1031    HZ   PHE  95           HZ       PHE  95   1.370   3.654 -11.117
 1032    H    GLY  96           H        GLY  96   7.314   9.068 -10.964
 1033   1HA   GLY  96          1HA       GLY  96   8.195  10.308  -8.676
 1034   2HA   GLY  96          2HA       GLY  96   8.932  10.526 -10.253
 1035    HA   PRO  97           HA       PRO  97   7.832  14.759 -10.625
 1036   1HB   PRO  97          1HB       PRO  97   5.882  14.149 -12.793
 1037   2HB   PRO  97          2HB       PRO  97   7.217  15.307 -12.770
 1038   1HG   PRO  97          1HG       PRO  97   7.445  13.018 -14.099
 1039   2HG   PRO  97          2HG       PRO  97   8.814  13.671 -13.178
 1040   1HD   PRO  97          1HD       PRO  97   6.970  11.422 -12.499
 1041   2HD   PRO  97          2HD       PRO  97   8.710  11.588 -12.189
 1042    H    MET  98           H        MET  98   4.808  12.904 -11.212
 1043    HA   MET  98           HA       MET  98   3.129  14.949 -10.257
 1044   1HB   MET  98          1HB       MET  98   1.338  13.310 -10.246
 1045   2HB   MET  98          2HB       MET  98   2.305  13.146 -11.702
 1046   1HG   MET  98          1HG       MET  98   3.435  11.214 -10.740
 1047   2HG   MET  98          2HG       MET  98   2.490  11.398  -9.263
 1048   1HE   MET  98          1HE       MET  98  -0.377  12.175 -10.359
 1049   2HE   MET  98          2HE       MET  98  -0.106  10.978  -9.093
 1050   3HE   MET  98          3HE       MET  98  -1.131  10.584 -10.473
 1051    H    TYR  99           H        TYR  99   4.652  12.245  -8.583
 1052    HA   TYR  99           HA       TYR  99   3.119  12.492  -6.195
 1053   1HB   TYR  99          1HB       TYR  99   4.494  10.477  -7.035
 1054   2HB   TYR  99          2HB       TYR  99   5.888  11.309  -6.360
 1055    HD1  TYR  99           HD1      TYR  99   6.361  11.194  -4.052
 1056    HD2  TYR  99           HD2      TYR  99   2.595   9.844  -5.504
 1057    HE1  TYR  99           HE1      TYR  99   5.868  10.217  -1.849
 1058    HE2  TYR  99           HE2      TYR  99   2.085   8.871  -3.306
 1059    HH   TYR  99           HH       TYR  99   3.149   8.149  -1.326
 1060    H    LYS 100           H        LYS 100   6.409  13.489  -7.092
 1061    HA   LYS 100           HA       LYS 100   7.074  14.868  -4.744
 1062   1HB   LYS 100          1HB       LYS 100   7.913  15.392  -7.604
 1063   2HB   LYS 100          2HB       LYS 100   8.673  16.121  -6.199
 1064   1HG   LYS 100          1HG       LYS 100   9.565  14.060  -5.486
 1065   2HG   LYS 100          2HG       LYS 100   8.534  13.150  -6.594
 1066   1HD   LYS 100          1HD       LYS 100   9.711  13.981  -8.490
 1067   2HD   LYS 100          2HD       LYS 100  10.636  15.105  -7.495
 1068   1HE   LYS 100          1HE       LYS 100  10.764  12.113  -7.176
 1069   2HE   LYS 100          2HE       LYS 100  11.850  13.019  -8.229
 1070   1HZ   LYS 100          1HZ       LYS 100  12.583  14.292  -6.300
 1071   2HZ   LYS 100          2HZ       LYS 100  12.859  12.636  -6.082
 1072   3HZ   LYS 100          3HZ       LYS 100  11.562  13.389  -5.292
 1073    H    ARG 101           H        ARG 101   5.430  15.893  -7.674
 1074    HA   ARG 101           HA       ARG 101   5.334  18.654  -7.100
 1075   1HB   ARG 101          1HB       ARG 101   4.995  17.412  -9.328
 1076   2HB   ARG 101          2HB       ARG 101   3.338  17.173  -8.796
 1077   1HG   ARG 101          1HG       ARG 101   2.986  19.564  -8.708
 1078   2HG   ARG 101          2HG       ARG 101   4.675  19.847  -9.146
 1079   1HD   ARG 101          1HD       ARG 101   4.234  18.520 -11.240
 1080   2HD   ARG 101          2HD       ARG 101   2.524  18.569 -10.820
 1081    HE   ARG 101           HE       ARG 101   3.383  21.189 -10.766
 1082   1HH1  ARG 101          1HH1      ARG 101   3.149  18.602 -13.114
 1083   2HH1  ARG 101          2HH1      ARG 101   3.081  19.668 -14.488
 1084   1HH2  ARG 101          1HH2      ARG 101   3.251  22.606 -12.564
 1085   2HH2  ARG 101          2HH2      ARG 101   3.090  21.947 -14.167
 1086    H    ASP 102           H        ASP 102   2.933  16.057  -6.690
 1087    HA   ASP 102           HA       ASP 102   0.843  17.685  -5.753
 1088   1HB   ASP 102          1HB       ASP 102   0.455  15.409  -6.541
 1089   2HB   ASP 102          2HB       ASP 102   1.394  14.762  -5.199
 1090    H    ARG 103           H        ARG 103   3.268  15.791  -3.965
 1091    HA   ARG 103           HA       ARG 103   2.376  16.464  -1.389
 1092   1HB   ARG 103          1HB       ARG 103   3.990  14.648  -1.863
 1093   2HB   ARG 103          2HB       ARG 103   5.206  15.852  -2.268
 1094   1HG   ARG 103          1HG       ARG 103   5.173  16.695   0.004
 1095   2HG   ARG 103          2HG       ARG 103   3.889  15.561   0.426
 1096   1HD   ARG 103          1HD       ARG 103   6.024  14.722   1.199
 1097   2HD   ARG 103          2HD       ARG 103   5.399  13.690  -0.087
 1098    HE   ARG 103           HE       ARG 103   7.064  15.592  -1.271
 1099   1HH1  ARG 103          1HH1      ARG 103   7.356  12.943   1.019
 1100   2HH1  ARG 103          2HH1      ARG 103   8.993  12.566   0.560
 1101   1HH2  ARG 103          1HH2      ARG 103   9.201  15.083  -1.875
 1102   2HH2  ARG 103          2HH2      ARG 103  10.027  13.759  -1.103
 1103    H    ALA 104           H        ALA 104   4.663  18.062  -3.559
 1104    HA   ALA 104           HA       ALA 104   5.442  20.090  -1.738
 1105   1HB   ALA 104          1HB       ALA 104   5.494  20.129  -4.754
 1106   2HB   ALA 104          2HB       ALA 104   6.772  19.510  -3.707
 1107   3HB   ALA 104          3HB       ALA 104   6.367  21.227  -3.684
 1108    H    LEU 105           H        LEU 105   2.858  19.837  -4.124
 1109    HA   LEU 105           HA       LEU 105   2.042  22.553  -3.960
 1110   1HB   LEU 105          1HB       LEU 105   0.625  20.077  -4.919
 1111   2HB   LEU 105          2HB       LEU 105  -0.083  21.679  -5.005
 1112    HG   LEU 105           HG       LEU 105   2.463  20.818  -6.378
 1113   1HD1  LEU 105          1HD1      LEU 105   0.480  19.795  -7.355
 1114   2HD1  LEU 105          2HD1      LEU 105   1.156  21.018  -8.431
 1115   3HD1  LEU 105          3HD1      LEU 105  -0.286  21.378  -7.482
 1116   1HD2  LEU 105          1HD2      LEU 105   2.346  22.991  -7.479
 1117   2HD2  LEU 105          2HD2      LEU 105   2.477  23.174  -5.728
 1118   3HD2  LEU 105          3HD2      LEU 105   0.921  23.406  -6.526
 1119    H    LYS 106           H        LYS 106   1.411  19.754  -2.038
 1120    HA   LYS 106           HA       LYS 106  -0.802  20.972  -0.639
 1121   1HB   LYS 106          1HB       LYS 106   0.756  18.437  -0.271
 1122   2HB   LYS 106          2HB       LYS 106  -0.398  18.984   0.942
 1123   1HG   LYS 106          1HG       LYS 106  -2.203  18.843  -0.560
 1124   2HG   LYS 106          2HG       LYS 106  -1.130  18.679  -1.950
 1125   1HD   LYS 106          1HD       LYS 106  -0.417  16.501  -1.165
 1126   2HD   LYS 106          2HD       LYS 106  -1.432  16.671   0.271
 1127   1HE   LYS 106          1HE       LYS 106  -3.413  16.544  -0.976
 1128   2HE   LYS 106          2HE       LYS 106  -2.575  16.856  -2.496
 1129   1HZ   LYS 106          1HZ       LYS 106  -3.230  14.525  -2.232
 1130   2HZ   LYS 106          2HZ       LYS 106  -2.239  14.407  -0.864
 1131   3HZ   LYS 106          3HZ       LYS 106  -1.552  14.715  -2.384
 1132    H    GLN 107           H        GLN 107   2.591  21.102  -0.467
 1133    HA   GLN 107           HA       GLN 107   2.607  22.169   2.243
 1134   1HB   GLN 107          1HB       GLN 107   4.810  21.893   0.187
 1135   2HB   GLN 107          2HB       GLN 107   5.039  22.492   1.825
 1136   1HG   GLN 107          1HG       GLN 107   4.322  20.345   2.721
 1137   2HG   GLN 107          2HG       GLN 107   4.069  19.743   1.082
 1138   1HE2  GLN 107          1HE2      GLN 107   6.418  20.689   3.459
 1139   2HE2  GLN 107          2HE2      GLN 107   7.789  19.972   2.682
 1140    H    GLN 108           H        GLN 108   3.098  23.195  -1.075
 1141    HA   GLN 108           HA       GLN 108   3.038  26.013  -0.378
 1142   1HB   GLN 108          1HB       GLN 108   4.465  24.936  -2.232
 1143   2HB   GLN 108          2HB       GLN 108   2.970  24.773  -3.137
 1144   1HG   GLN 108          1HG       GLN 108   2.706  27.277  -2.894
 1145   2HG   GLN 108          2HG       GLN 108   4.367  27.295  -2.302
 1146   1HE2  GLN 108          1HE2      GLN 108   2.302  26.802  -5.047
 1147   2HE2  GLN 108          2HE2      GLN 108   3.551  26.805  -6.249
 1148    H    LYS 109           H        LYS 109   1.505  27.025  -2.484
 1149    HA   LYS 109           HA       LYS 109  -1.052  25.602  -2.399
 1150   1HB   LYS 109          1HB       LYS 109  -0.602  28.555  -1.991
 1151   2HB   LYS 109          2HB       LYS 109  -2.148  27.919  -2.539
 1152   1HG   LYS 109          1HG       LYS 109  -2.226  26.501  -0.503
 1153   2HG   LYS 109          2HG       LYS 109  -0.755  27.298   0.055
 1154   1HD   LYS 109          1HD       LYS 109  -1.876  29.428   0.122
 1155   2HD   LYS 109          2HD       LYS 109  -3.323  28.732  -0.611
 1156   1HE   LYS 109          1HE       LYS 109  -2.177  27.964   2.073
 1157   2HE   LYS 109          2HE       LYS 109  -3.553  29.035   1.822
 1158   1HZ   LYS 109          1HZ       LYS 109  -3.411  26.163   1.063
 1159   2HZ   LYS 109          2HZ       LYS 109  -4.722  27.188   0.749
 1160   3HZ   LYS 109          3HZ       LYS 109  -4.301  26.816   2.349
 1161    H    LYS 110           H        LYS 110  -2.426  26.080  -4.273
 1162    HA   LYS 110           HA       LYS 110  -0.704  26.166  -6.629
 1163   1HB   LYS 110          1HB       LYS 110  -3.616  25.386  -6.397
 1164   2HB   LYS 110          2HB       LYS 110  -2.590  25.166  -7.809
 1165   1HG   LYS 110          1HG       LYS 110  -1.172  23.633  -6.521
 1166   2HG   LYS 110          2HG       LYS 110  -2.243  23.831  -5.134
 1167   1HD   LYS 110          1HD       LYS 110  -4.109  22.951  -6.509
 1168   2HD   LYS 110          2HD       LYS 110  -2.961  22.660  -7.820
 1169   1HE   LYS 110          1HE       LYS 110  -1.667  21.198  -6.307
 1170   2HE   LYS 110          2HE       LYS 110  -2.897  21.434  -5.067
 1171   1HZ   LYS 110          1HZ       LYS 110  -3.321  20.178  -7.727
 1172   2HZ   LYS 110          2HZ       LYS 110  -4.523  20.419  -6.557
 1173   3HZ   LYS 110          3HZ       LYS 110  -3.232  19.365  -6.242
 1174    H    ALA 111           H        ALA 111  -0.467  27.997  -7.667
 1175    HA   ALA 111           HA       ALA 111  -2.652  29.969  -7.605
 1176   1HB   ALA 111          1HB       ALA 111  -0.543  30.757  -6.644
 1177   2HB   ALA 111          2HB       ALA 111  -0.952  31.651  -8.107
 1178   3HB   ALA 111          3HB       ALA 111   0.285  30.396  -8.159
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  29.519   2.978  -0.082
    2   2H5*    G   1          2H5*        G   1  28.676   1.419  -0.133
    3    H4*    G   1           H4*        G   1  28.995   2.783   2.102
    4    H3*    G   1           H3*        G   1  27.583   0.576   1.610
    5    H1*    G   1           H1*        G   1  25.629   3.760   2.815
    6    H8     G   1           H8         G   1  25.254   2.858  -0.908
    7    H1     G   1           H1         G   1  22.055   8.084   0.997
    8   1H2     G   1          1H2         G   1  22.526   8.544   3.093
    9   2H2     G   1          2H2         G   1  23.636   7.577   4.039
   10    H5T    G   1           H5T        G   1  27.034   3.615  -0.378
   11   1H2*    G   1          1H2*        G   1  25.595   1.563   0.716
   12   2H2*    G   1          2H2*        G   1  25.156   1.470   2.415
   13   1H5*    G   2          1H5*        G   2  26.241   3.664   4.618
   14   2H5*    G   2          2H5*        G   2  26.517   2.820   6.156
   15    H4*    G   2           H4*        G   2  25.008   4.460   6.725
   16    H3*    G   2           H3*        G   2  24.079   1.939   7.049
   17    H1*    G   2           H1*        G   2  21.891   4.682   5.409
   18    H8     G   2           H8         G   2  23.093   1.988   2.908
   19    H1     G   2           H1         G   2  19.177   6.482   0.525
   20   1H2     G   2          1H2         G   2  18.738   7.996   2.063
   21   2H2     G   2          2H2         G   2  19.409   7.909   3.678
   22   1H2*    G   2          1H2*        G   2  22.758   1.776   5.065
   23   2H2*    G   2          2H2*        G   2  21.563   2.437   6.172
   24   1H5*    C   3          1H5*        C   3  21.877   5.320   8.262
   25   2H5*    C   3          2H5*        C   3  21.313   5.666   9.910
   26    H4*    C   3           H4*        C   3  19.736   6.729   8.650
   27    H3*    C   3           H3*        C   3  18.742   4.561   9.994
   28    H1*    C   3           H1*        C   3  17.759   5.532   6.462
   29   1H4     C   3          1H4         C   3  18.617   1.880   1.378
   30   2H4     C   3          2H4         C   3  19.599   0.738   2.267
   31    H5     C   3           H5         C   3  20.143   1.019   4.616
   32    H6     C   3           H6         C   3  19.854   2.451   6.571
   33   1H2*    C   3          1H2*        C   3  18.593   3.083   8.109
   34   2H2*    C   3          2H2*        C   3  17.007   3.840   8.055
   35   1H5*    T   4          1H5*        T   4  15.620   8.181   9.332
   36   2H5*    T   4          2H5*        T   4  13.983   7.906   9.960
   37    H4*    T   4           H4*        T   4  14.291   8.921   7.618
   38    H3*    T   4           H3*        T   4  12.161   7.563   8.692
   39   1H2*    T   4          1H2*        T   4  12.581   5.442   7.680
   40   2H2*    T   4          2H2*        T   4  11.633   6.196   6.406
   41    H1*    T   4           H1*        T   4  13.599   6.930   5.205
   42    H3     T   4           H3         T   4  14.693   3.177   3.068
   43   1H5M    T   4          1H5M        T   4  16.986   2.046   7.274
   44   2H5M    T   4          2H5M        T   4  15.556   2.288   8.305
   45   3H5M    T   4          3H5M        T   4  15.568   0.986   7.093
   46    H6     T   4           H6         T   4  14.865   4.459   7.659
   47   1H5*    C   5          1H5*        C   5  12.036   8.552   3.498
   48   2H5*    C   5          2H5*        C   5  10.899   9.767   4.121
   49    H4*    C   5           H4*        C   5  10.149   9.243   1.967
   50    H3*    C   5           H3*        C   5   8.368   8.979   3.923
   51    H1*    C   5           H1*        C   5   8.893   5.871   1.561
   52   1H4     C   5          1H4         C   5  12.063   0.898   3.863
   53   2H4     C   5          2H4         C   5  12.112   1.610   5.463
   54    H5     C   5           H5         C   5  11.290   3.832   5.939
   55    H6     C   5           H6         C   5  10.205   5.802   5.000
   56   1H2*    C   5          1H2*        C   5   8.708   6.676   4.480
   57   2H2*    C   5          2H2*        C   5   7.423   6.518   3.292
   58   1H5*    A   6          1H5*        A   6   6.178   9.429  -0.397
   59   2H5*    A   6          2H5*        A   6   4.428   9.134  -0.476
   60    H4*    A   6           H4*        A   6   6.044   7.788  -1.978
   61    H3*    A   6           H3*        A   6   3.480   7.228  -1.174
   62    H1*    A   6           H1*        A   6   6.385   4.696  -1.070
   63    H8     A   6           H8         A   6   5.772   6.113   2.493
   64   1H6     A   6          1H6         A   6   8.483   0.914   4.478
   65   2H6     A   6          2H6         A   6   7.781   2.444   4.955
   66    H2     A   6           H2         A   6   8.222   0.728  -0.003
   67   1H2*    A   6          1H2*        A   6   3.989   5.672   0.558
   68   2H2*    A   6          2H2*        A   6   4.004   4.574  -0.815
   69   1H5*    G   7          1H5*        G   7   5.983   3.299  -3.211
   70   2H5*    G   7          2H5*        G   7   4.854   3.302  -4.582
   71    H4*    G   7           H4*        G   7   5.254   1.062  -4.242
   72    H3*    G   7           H3*        G   7   2.661   1.921  -3.576
   73    H1*    G   7           H1*        G   7   4.797  -0.806  -1.815
   74    H8     G   7           H8         G   7   4.174   2.361   0.352
   75    H1     G   7           H1         G   7   6.191  -2.870   3.483
   76   1H2     G   7          1H2         G   7   6.429  -4.543   2.067
   77   2H2     G   7          2H2         G   7   6.079  -4.376   0.363
   78   1H2*    G   7          1H2*        G   7   2.631   1.284  -1.318
   79   2H2*    G   7          2H2*        G   7   2.474  -0.343  -1.969
   80   1H5*    G   8          1H5*        G   8   4.831  -2.095  -3.181
   81   2H5*    G   8          2H5*        G   8   4.356  -2.111  -4.890
   82    H4*    G   8           H4*        G   8   5.262  -4.201  -4.626
   83    H3*    G   8           H3*        G   8   2.706  -4.324  -5.281
   84    H1*    G   8           H1*        G   8   3.620  -6.089  -1.768
   85    H8     G   8           H8         G   8   1.990  -2.603  -1.939
   86    H1     G   8           H1         G   8   3.415  -4.728   3.951
   87   1H2     G   8          1H2         G   8   4.524  -6.632   3.818
   88   2H2     G   8          2H2         G   8   4.909  -7.383   2.287
   89   1H2*    G   8          1H2*        G   8   1.634  -4.343  -3.167
   90   2H2*    G   8          2H2*        G   8   1.904  -6.075  -3.317
   91   1H5*    G   9          1H5*        G   9   4.171  -7.172  -3.056
   92   2H5*    G   9          2H5*        G   9   4.674  -8.769  -3.651
   93    H4*    G   9           H4*        G   9   4.318  -9.384  -1.542
   94    H3*    G   9           H3*        G   9   1.998  -9.992  -3.000
   95    H1*    G   9           H1*        G   9   2.340  -8.828   0.604
   96    H8     G   9           H8         G   9   0.541  -6.095  -1.497
   97    H1     G   9           H1         G   9   0.242  -5.449   4.886
   98   1H2     G   9          1H2         G   9   1.348  -7.095   5.861
   99   2H2     G   9          2H2         G   9   2.155  -8.345   4.941
  100   1H2*    G   9          1H2*        G   9   0.534  -8.518  -1.854
  101   2H2*    G   9          2H2*        G   9   0.538  -9.827  -0.680
  102   1H5*    C  10          1H5*        C  10   3.275 -11.559   0.689
  103   2H5*    C  10          2H5*        C  10   3.540 -13.300   0.926
  104    H4*    C  10           H4*        C  10   3.309 -12.522   3.072
  105    H3*    C  10           H3*        C  10   1.255 -14.175   2.219
  106    H1*    C  10           H1*        C  10   0.860 -11.061   4.475
  107   1H4     C  10          1H4         C  10  -3.136  -6.470   2.731
  108   2H4     C  10          2H4         C  10  -2.937  -6.850   1.035
  109    H5     C  10           H5         C  10  -1.553  -8.674   0.250
  110    H6     C  10           H6         C  10  -0.076 -10.490   0.931
  111   1H2*    C  10          1H2*        C  10  -0.502 -12.586   2.203
  112   2H2*    C  10          2H2*        C  10  -0.513 -12.950   3.924
  113   1H5*    C  11          1H5*        C  11   0.795 -12.226   6.501
  114   2H5*    C  11          2H5*        C  11   1.662 -13.644   7.127
  115    H4*    C  11           H4*        C  11   0.598 -13.119   9.019
  116    H3*    C  11           H3*        C  11  -0.668 -15.234   7.981
  117    H1*    C  11           H1*        C  11  -2.893 -12.023   8.833
  118   1H4     C  11          1H4         C  11  -4.958  -8.940   3.727
  119   2H4     C  11          2H4         C  11  -4.156 -10.056   2.641
  120    H5     C  11           H5         C  11  -2.758 -11.879   3.431
  121    H6     C  11           H6         C  11  -1.876 -12.994   5.409
  122   1H2*    C  11          1H2*        C  11  -2.464 -14.221   6.824
  123   2H2*    C  11          2H2*        C  11  -3.211 -14.283   8.416
  124   1H5*    A  12          1H5*        A  12  -2.712 -12.046  10.412
  125   2H5*    A  12          2H5*        A  12  -2.500 -12.907  11.950
  126    H4*    A  12           H4*        A  12  -4.142 -11.451  12.528
  127    H3*    A  12           H3*        A  12  -5.068 -13.971  12.478
  128    H1*    A  12           H1*        A  12  -7.095 -11.165  10.677
  129    H8     A  12           H8         A  12  -5.055 -13.429   8.268
  130   1H6     A  12          1H6         A  12  -8.221 -10.592   3.769
  131   2H6     A  12          2H6         A  12  -7.031 -11.823   4.136
  132    H2     A  12           H2         A  12  -9.441  -8.777   7.690
  133   1H2*    A  12          1H2*        A  12  -6.026 -13.989  10.290
  134   2H2*    A  12          2H2*        A  12  -7.416 -13.458  11.227
  135   1H5*    C  13          1H5*        C  13  -7.389 -10.592  13.748
  136   2H5*    C  13          2H5*        C  13  -8.160 -10.634  15.348
  137    H4*    C  13           H4*        C  13  -9.300  -8.989  14.153
  138    H3*    C  13           H3*        C  13 -10.773 -11.059  15.108
  139    H1*    C  13           H1*        C  13 -11.279  -9.690  11.516
  140   1H4     C  13          1H4         C  13 -10.104 -13.395   6.531
  141   2H4     C  13          2H4         C  13  -9.144 -14.503   7.485
  142    H5     C  13           H5         C  13  -8.804 -14.230   9.870
  143    H6     C  13           H6         C  13  -9.258 -12.804  11.794
  144   1H2*    C  13          1H2*        C  13 -11.039 -12.296  13.086
  145   2H2*    C  13          2H2*        C  13 -12.424 -11.222  12.960
  146   1H5*    A  14          1H5*        A  14 -12.900  -7.703  13.333
  147   2H5*    A  14          2H5*        A  14 -13.771  -6.677  14.492
  148    H4*    A  14           H4*        A  14 -15.109  -6.311  12.740
  149    H3*    A  14           H3*        A  14 -16.351  -8.085  14.375
  150    H1*    A  14           H1*        A  14 -16.235  -8.589  10.537
  151    H8     A  14           H8         A  14 -13.909 -11.045  12.444
  152   1H6     A  14          1H6         A  14 -13.440 -13.986   7.021
  153   2H6     A  14          2H6         A  14 -12.986 -14.004   8.712
  154    H2     A  14           H2         A  14 -15.961 -10.322   6.405
  155   1H2*    A  14          1H2*        A  14 -15.881 -10.089  13.173
  156   2H2*    A  14          2H2*        A  14 -17.375  -9.613  12.378
  157   1H5*    G  15          1H5*        G  15 -17.128  -7.723   9.748
  158   2H5*    G  15          2H5*        G  15 -17.826  -6.299  10.548
  159    H4*    G  15           H4*        G  15 -18.771  -5.969   8.556
  160    H3*    G  15           H3*        G  15 -20.679  -6.939  10.144
  161    H1*    G  15           H1*        G  15 -19.883  -9.220   6.849
  162    H8     G  15           H8         G  15 -18.405  -9.719  10.399
  163    H1     G  15           H1         G  15 -17.516 -14.539   6.248
  164   1H2     G  15          1H2         G  15 -18.373 -14.007   4.287
  165   2H2     G  15          2H2         G  15 -19.166 -12.475   3.997
  166    H3T    G  15           H3T        G  15 -22.058  -6.213   8.628
  167   1H2*    G  15          1H2*        G  15 -20.780  -9.225   9.659
  168   2H2*    G  15          2H2*        G  15 -21.644  -8.718   8.215
  169   1H5*    C  16          1H5*        C  16 -18.766 -21.791   1.717
  170   2H5*    C  16          2H5*        C  16 -17.362 -21.846   0.636
  171    H4*    C  16           H4*        C  16 -18.851 -19.797   0.542
  172    H3*    C  16           H3*        C  16 -16.137 -19.999   0.037
  173    H1*    C  16           H1*        C  16 -17.852 -17.176   2.003
  174   1H4     C  16          1H4         C  16 -16.056 -15.775   7.900
  175   2H4     C  16          2H4         C  16 -15.180 -17.276   8.070
  176    H5     C  16           H5         C  16 -15.098 -18.957   6.328
  177    H6     C  16           H6         C  16 -15.800 -19.512   4.061
  178    H5T    C  16           H5T        C  16 -17.313 -21.037   3.363
  179   1H2*    C  16          1H2*        C  16 -15.340 -18.921   1.995
  180   2H2*    C  16          2H2*        C  16 -15.673 -17.491   1.027
  181   1H5*    T  17          1H5*        T  17 -18.221 -16.065   0.879
  182   2H5*    T  17          2H5*        T  17 -18.700 -16.095  -0.831
  183    H4*    T  17           H4*        T  17 -19.167 -13.946  -0.465
  184    H3*    T  17           H3*        T  17 -16.871 -13.990  -1.827
  185   1H2*    T  17          1H2*        T  17 -15.305 -13.892  -0.032
  186   2H2*    T  17          2H2*        T  17 -15.527 -12.171  -0.313
  187    H1*    T  17           H1*        T  17 -16.985 -11.898   1.518
  188    H3     T  17           H3         T  17 -15.081 -12.703   5.472
  189   1H5M    T  17          1H5M        T  17 -14.579 -17.247   2.811
  190   2H5M    T  17          2H5M        T  17 -13.619 -16.865   4.260
  191   3H5M    T  17          3H5M        T  17 -13.010 -16.422   2.648
  192    H6     T  17           H6         T  17 -15.391 -15.235   1.440
  193   1H5*    G  18          1H5*        G  18 -17.668 -10.497   0.785
  194   2H5*    G  18          2H5*        G  18 -18.183  -9.256  -0.377
  195    H4*    G  18           H4*        G  18 -17.440  -7.912   1.273
  196    H3*    G  18           H3*        G  18 -15.657  -7.935  -0.816
  197    H1*    G  18           H1*        G  18 -14.645  -7.970   2.897
  198    H8     G  18           H8         G  18 -13.696 -11.237   1.062
  199    H1     G  18           H1         G  18 -11.793 -10.818   7.179
  200   1H2     G  18          1H2         G  18 -12.560  -8.956   8.085
  201   2H2     G  18          2H2         G  18 -13.541  -7.819   7.187
  202   1H2*    G  18          1H2*        G  18 -13.947  -9.244   0.204
  203   2H2*    G  18          2H2*        G  18 -13.489  -7.658   0.806
  204   1H5*    T  19          1H5*        T  19 -15.883  -5.355   2.418
  205   2H5*    T  19          2H5*        T  19 -15.783  -3.582   2.472
  206    H4*    T  19           H4*        T  19 -15.211  -4.409   4.613
  207    H3*    T  19           H3*        T  19 -13.446  -2.775   3.232
  208   1H2*    T  19          1H2*        T  19 -11.702  -4.342   2.889
  209   2H2*    T  19          2H2*        T  19 -11.309  -3.897   4.545
  210    H1*    T  19           H1*        T  19 -12.504  -5.757   5.479
  211    H3     T  19           H3         T  19  -9.576  -9.051   4.831
  212   1H5M    T  19          1H5M        T  19 -10.013  -8.778   0.214
  213   2H5M    T  19          2H5M        T  19 -11.718  -9.260   0.370
  214   3H5M    T  19          3H5M        T  19 -11.304  -7.578  -0.036
  215    H6     T  19           H6         T  19 -12.329  -6.533   1.861
  216   1H5*    G  20          1H5*        G  20 -12.428  -4.041   7.562
  217   2H5*    G  20          2H5*        G  20 -12.892  -2.497   8.309
  218    H4*    G  20           H4*        G  20 -11.479  -3.267   9.895
  219    H3*    G  20           H3*        G  20 -10.356  -1.204   8.539
  220    H1*    G  20           H1*        G  20  -8.335  -4.444   9.314
  221    H8     G  20           H8         G  20  -9.392  -4.076   5.599
  222    H1     G  20           H1         G  20  -5.300  -8.837   6.938
  223   1H2     G  20          1H2         G  20  -4.922  -8.918   9.112
  224   2H2     G  20          2H2         G  20  -5.677  -7.801  10.229
  225   1H2*    G  20          1H2*        G  20  -8.891  -2.414   7.113
  226   2H2*    G  20          2H2*        G  20  -7.844  -2.261   8.517
  227   1H5*    G  21          1H5*        G  21  -7.869  -4.228  10.525
  228   2H5*    G  21          2H5*        G  21  -8.059  -3.410  12.089
  229    H4*    G  21           H4*        G  21  -6.336  -4.700  12.672
  230    H3*    G  21           H3*        G  21  -5.355  -2.236  12.283
  231    H1*    G  21           H1*        G  21  -3.576  -5.269  10.607
  232    H8     G  21           H8         G  21  -5.737  -3.182   8.156
  233    H1     G  21           H1         G  21  -2.137  -7.802   5.518
  234   1H2     G  21          1H2         G  21  -1.068  -8.917   7.093
  235   2H2     G  21          2H2         G  21  -1.240  -8.529   8.791
  236   1H2*    G  21          1H2*        G  21  -4.626  -2.471  10.015
  237   2H2*    G  21          2H2*        G  21  -3.158  -2.941  10.863
  238   1H5*    C  22          1H5*        C  22  -2.768  -5.920  11.314
  239   2H5*    C  22          2H5*        C  22  -2.674  -5.931  13.087
  240    H4*    C  22           H4*        C  22  -0.968  -7.320  12.725
  241    H3*    C  22           H3*        C  22   0.112  -4.980  13.391
  242    H1*    C  22           H1*        C  22   1.305  -6.567   9.919
  243   1H4     C  22          1H4         C  22  -1.092  -3.757   4.795
  244   2H4     C  22          2H4         C  22  -1.959  -2.588   5.760
  245    H5     C  22           H5         C  22  -1.968  -2.624   8.179
  246    H6     C  22           H6         C  22  -1.127  -3.777  10.156
  247   1H2*    C  22          1H2*        C  22   0.502  -4.000  11.264
  248   2H2*    C  22          2H2*        C  22   1.997  -4.917  11.396
  249   1H5*    C  23          1H5*        C  23   2.160  -7.663  10.914
  250   2H5*    C  23          2H5*        C  23   3.265  -8.615  11.926
  251    H4*    C  23           H4*        C  23   4.218  -9.035   9.942
  252    H3*    C  23           H3*        C  23   5.711  -7.127  11.269
  253    H1*    C  23           H1*        C  23   4.930  -7.091   7.474
  254   1H4     C  23          1H4         C  23   1.931  -2.122   4.960
  255   2H4     C  23          2H4         C  23   1.437  -1.528   6.531
  256    H5     C  23           H5         C  23   2.011  -2.654   8.601
  257    H6     C  23           H6         C  23   3.153  -4.582   9.572
  258   1H2*    C  23          1H2*        C  23   5.227  -5.257   9.898
  259   2H2*    C  23          2H2*        C  23   6.488  -5.974   8.904
  260   1H5*    C  24          1H5*        C  24   6.934  -9.630   8.041
  261   2H5*    C  24          2H5*        C  24   8.482 -10.501   8.007
  262    H4*    C  24           H4*        C  24   7.752 -10.251   5.772
  263    H3*    C  24           H3*        C  24  10.244  -9.442   6.444
  264    H1*    C  24           H1*        C  24   7.982  -7.314   4.205
  265   1H4     C  24          1H4         C  24   6.036  -1.540   5.864
  266   2H4     C  24          2H4         C  24   6.456  -1.797   7.542
  267    H5     C  24           H5         C  24   7.385  -3.878   8.364
  268    H6     C  24           H6         C  24   8.122  -6.118   7.737
  269   1H2*    C  24          1H2*        C  24   9.778  -7.100   6.673
  270   2H2*    C  24          2H2*        C  24  10.265  -7.173   4.985
  271   1H5*    T  25          1H5*        T  25   8.273  -7.296   2.775
  272   2H5*    T  25          2H5*        T  25   8.860  -8.671   1.816
  273    H4*    T  25           H4*        T  25   8.768  -7.207   0.134
  274    H3*    T  25           H3*        T  25  11.368  -7.375   0.933
  275   1H2*    T  25          1H2*        T  25  11.532  -5.338   2.146
  276   2H2*    T  25          2H2*        T  25  11.884  -4.726   0.536
  277    H1*    T  25           H1*        T  25   9.648  -3.979   0.170
  278    H3     T  25           H3         T  25   8.747  -0.407   2.668
  279   1H5M    T  25          1H5M        T  25  10.268  -2.323   6.525
  280   2H5M    T  25          2H5M        T  25   9.520  -3.927   6.334
  281   3H5M    T  25          3H5M        T  25  11.241  -3.694   5.942
  282    H6     T  25           H6         T  25  10.373  -4.766   3.722
  283   1H5*    G  26          1H5*        G  26  10.793  -6.468  -3.773
  284   2H5*    G  26          2H5*        G  26  12.285  -6.594  -4.728
  285    H4*    G  26           H4*        G  26  11.019  -4.489  -5.060
  286    H3*    G  26           H3*        G  26  13.755  -4.736  -4.968
  287    H1*    G  26           H1*        G  26  11.762  -1.911  -3.337
  288    H8     G  26           H8         G  26  13.185  -4.300  -0.624
  289    H1     G  26           H1         G  26  11.019   1.381   1.451
  290   1H2     G  26          1H2         G  26  10.225   2.549  -0.244
  291   2H2     G  26          2H2         G  26  10.227   1.932  -1.882
  292   1H2*    G  26          1H2*        G  26  14.089  -3.825  -2.789
  293   2H2*    G  26          2H2*        G  26  14.113  -2.342  -3.734
  294   1H5*    A  27          1H5*        A  27  11.339  -0.831  -4.014
  295   2H5*    A  27          2H5*        A  27  11.247  -0.972  -5.783
  296    H4*    A  27           H4*        A  27  10.532   1.144  -5.559
  297    H3*    A  27           H3*        A  27  12.960   1.140  -6.656
  298    H1*    A  27           H1*        A  27  12.543   3.327  -3.288
  299    H8     A  27           H8         A  27  14.166  -0.194  -3.271
  300   1H6     A  27          1H6         A  27  15.402   0.972   2.682
  301   2H6     A  27          2H6         A  27  15.587  -0.175   1.372
  302    H2     A  27           H2         A  27  13.074   4.441   1.035
  303   1H2*    A  27          1H2*        A  27  14.383   1.537  -4.819
  304   2H2*    A  27          2H2*        A  27  13.945   3.215  -5.113
  305   1H5*    G  28          1H5*        G  28  11.775   4.144  -4.158
  306   2H5*    G  28          2H5*        G  28  10.798   5.102  -5.290
  307    H4*    G  28           H4*        G  28  10.828   6.595  -3.631
  308    H3*    G  28           H3*        G  28  12.526   7.497  -5.476
  309    H1*    G  28           H1*        G  28  13.771   7.274  -1.795
  310    H8     G  28           H8         G  28  14.985   4.312  -3.989
  311    H1     G  28           H1         G  28  17.329   4.600   1.983
  312   1H2     G  28          1H2         G  28  16.464   6.332   3.044
  313   2H2     G  28          2H2         G  28  15.309   7.406   2.287
  314   1H2*    G  28          1H2*        G  28  14.545   6.491  -4.635
  315   2H2*    G  28          2H2*        G  28  14.619   8.076  -3.875
  316   1H5*    C  29          1H5*        C  29  12.244   9.828  -1.872
  317   2H5*    C  29          2H5*        C  29  12.076  11.591  -1.745
  318    H4*    C  29           H4*        C  29  13.611  11.087  -0.110
  319    H3*    C  29           H3*        C  29  14.660  12.511  -2.310
  320    H1*    C  29           H1*        C  29  16.289   9.958  -0.016
  321   1H4     C  29          1H4         C  29  19.468   4.938  -2.183
  322   2H4     C  29          2H4         C  29  18.824   5.129  -3.800
  323    H5     C  29           H5         C  29  17.272   6.896  -4.394
  324    H6     C  29           H6         C  29  16.032   8.824  -3.561
  325   1H2*    C  29          1H2*        C  29  16.287  10.908  -2.932
  326   2H2*    C  29          2H2*        C  29  17.155  11.612  -1.575
  327   1H5*    C  30          1H5*        C  30  15.893  12.983   2.074
  328   2H5*    C  30          2H5*        C  30  16.306  14.676   2.419
  329    H4*    C  30           H4*        C  30  17.354  13.276   4.039
  330    H3*    C  30           H3*        C  30  18.780  15.159   2.733
  331    H1*    C  30           H1*        C  30  20.182  11.539   3.111
  332   1H4     C  30          1H4         C  30  21.096   8.115  -2.133
  333   2H4     C  30          2H4         C  30  20.028   9.133  -3.070
  334    H5     C  30           H5         C  30  18.876  11.045  -2.134
  335    H6     C  30           H6         C  30  18.526  12.371  -0.118
  336    H3T    C  30           H3T        C  30  19.352  13.389   4.829
  337   1H2*    C  30          1H2*        C  30  19.840  13.798   1.095
  338   2H2*    C  30          2H2*        C  30  21.015  13.649   2.395
  339   1H    ASP  10          1H        ASP  10  -6.555  11.801  10.732
  340    HA   ASP  10           HA       ASP  10  -6.147  14.627  10.550
  341   1HB   ASP  10          1HB       ASP  10  -4.250  13.119  10.836
  342   2HB   ASP  10          2HB       ASP  10  -4.625  12.336   9.306
  343    H    GLU  11           H        GLU  11  -6.115  12.235   7.985
  344    HA   GLU  11           HA       GLU  11  -7.877  13.970   6.406
  345   1HB   GLU  11          1HB       GLU  11  -5.484  12.432   5.366
  346   2HB   GLU  11          2HB       GLU  11  -6.658  13.265   4.362
  347   1HG   GLU  11          1HG       GLU  11  -6.050  15.378   5.375
  348   2HG   GLU  11          2HG       GLU  11  -4.864  14.560   6.386
  349    H    LEU  12           H        LEU  12  -9.254  12.849   4.934
  350    HA   LEU  12           HA       LEU  12  -9.747  10.093   5.814
  351   1HB   LEU  12          1HB       LEU  12 -11.632  12.187   4.749
  352   2HB   LEU  12          2HB       LEU  12 -12.079  10.503   4.933
  353    HG   LEU  12           HG       LEU  12 -11.216  12.323   7.184
  354   1HD1  LEU  12          1HD1      LEU  12 -13.560  12.221   7.875
  355   2HD1  LEU  12          2HD1      LEU  12 -13.947  11.289   6.428
  356   3HD1  LEU  12          3HD1      LEU  12 -13.390  12.956   6.281
  357   1HD2  LEU  12          1HD2      LEU  12 -12.014  10.482   8.618
  358   2HD2  LEU  12          2HD2      LEU  12 -10.633  10.013   7.625
  359   3HD2  LEU  12          3HD2      LEU  12 -12.259   9.491   7.180
  360    H    CYS  13           H        CYS  13  -9.773   8.488   4.432
  361    HA   CYS  13           HA       CYS  13  -8.783   8.764   1.803
  362   1HB   CYS  13          1HB       CYS  13  -8.559   6.719   3.217
  363   2HB   CYS  13          2HB       CYS  13 -10.285   6.435   3.033
  364    HG   CYS  13           HG       CYS  13  -8.164   6.543   0.359
  365    HA   PRO  14           HA       PRO  14 -12.588  10.357   0.125
  366   1HB   PRO  14          1HB       PRO  14 -11.804  10.252  -2.509
  367   2HB   PRO  14          2HB       PRO  14 -11.382  11.553  -1.393
  368   1HG   PRO  14          1HG       PRO  14  -9.767   9.179  -2.236
  369   2HG   PRO  14          2HG       PRO  14  -9.252  10.861  -2.005
  370   1HD   PRO  14          1HD       PRO  14  -8.757   8.972  -0.163
  371   2HD   PRO  14          2HD       PRO  14  -9.146  10.642   0.300
  372    H    VAL  15           H        VAL  15 -11.242   7.277  -0.510
  373    HA   VAL  15           HA       VAL  15 -13.415   6.394  -2.201
  374    HB   VAL  15           HB       VAL  15 -11.204   4.769  -0.939
  375   1HG1  VAL  15          1HG1      VAL  15 -11.799   3.092  -2.641
  376   2HG1  VAL  15          2HG1      VAL  15 -13.169   4.095  -3.121
  377   3HG1  VAL  15          3HG1      VAL  15 -13.111   3.395  -1.502
  378   1HG2  VAL  15          1HG2      VAL  15 -10.300   6.435  -2.445
  379   2HG2  VAL  15          2HG2      VAL  15 -11.431   5.936  -3.704
  380   3HG2  VAL  15          3HG2      VAL  15 -10.170   4.829  -3.162
  381    H    CYS  16           H        CYS  16 -12.156   5.398   0.998
  382    HA   CYS  16           HA       CYS  16 -14.637   3.918   1.416
  383   1HB   CYS  16          1HB       CYS  16 -13.415   2.806   3.235
  384   2HB   CYS  16          2HB       CYS  16 -12.546   2.702   1.707
  385    HG   CYS  16           HG       CYS  16 -11.514   3.871   4.588
  386    H    GLY  17           H        GLY  17 -13.189   6.847   2.413
  387   1HA   GLY  17          1HA       GLY  17 -13.865   8.423   3.950
  388   2HA   GLY  17          2HA       GLY  17 -15.316   7.462   4.208
  389    H    ASP  18           H        ASP  18 -11.827   7.150   4.826
  390    HA   ASP  18           HA       ASP  18 -12.236   6.912   7.655
  391   1HB   ASP  18          1HB       ASP  18 -12.611   4.553   6.409
  392   2HB   ASP  18          2HB       ASP  18 -10.858   4.511   6.566
  393    H    LYS  19           H        LYS  19  -9.847   5.778   8.383
  394    HA   LYS  19           HA       LYS  19  -8.099   7.948   8.163
  395   1HB   LYS  19          1HB       LYS  19  -7.147   5.155   8.747
  396   2HB   LYS  19          2HB       LYS  19  -6.553   6.673   9.403
  397   1HG   LYS  19          1HG       LYS  19  -9.202   5.389  10.019
  398   2HG   LYS  19          2HG       LYS  19  -7.788   5.429  11.071
  399   1HD   LYS  19          1HD       LYS  19  -7.947   7.819  11.280
  400   2HD   LYS  19          2HD       LYS  19  -9.244   7.878  10.081
  401   1HE   LYS  19          1HE       LYS  19  -9.398   6.440  12.728
  402   2HE   LYS  19          2HE       LYS  19 -10.062   8.042  12.413
  403   1HZ   LYS  19          1HZ       LYS  19 -10.859   5.709  10.770
  404   2HZ   LYS  19          2HZ       LYS  19 -11.673   7.183  10.994
  405   3HZ   LYS  19          3HZ       LYS  19 -11.619   6.047  12.250
  406    H    VAL  20           H        VAL  20  -5.854   7.899   7.324
  407    HA   VAL  20           HA       VAL  20  -5.631   6.391   4.809
  408    HB   VAL  20           HB       VAL  20  -4.583   8.309   3.725
  409   1HG1  VAL  20          1HG1      VAL  20  -6.553   9.744   3.503
  410   2HG1  VAL  20          2HG1      VAL  20  -7.257   8.989   4.933
  411   3HG1  VAL  20          3HG1      VAL  20  -6.979   8.032   3.479
  412   1HG2  VAL  20          1HG2      VAL  20  -3.608   9.411   5.659
  413   2HG2  VAL  20          2HG2      VAL  20  -5.216   9.817   6.261
  414   3HG2  VAL  20          3HG2      VAL  20  -4.628  10.536   4.760
  415    H    SER  21           H        SER  21  -3.473   5.960   4.106
  416    HA   SER  21           HA       SER  21  -1.568   5.798   6.306
  417   1HB   SER  21          1HB       SER  21  -1.334   4.709   3.488
  418   2HB   SER  21          2HB       SER  21  -0.327   4.283   4.872
  419    HG   SER  21           HG       SER  21  -2.453   3.615   5.846
  420    H    GLY  22           H        GLY  22  -2.376   7.958   3.956
  421   1HA   GLY  22          1HA       GLY  22  -1.031  10.030   3.944
  422   2HA   GLY  22          2HA       GLY  22   0.381   8.996   3.766
  423    H    TYR  23           H        TYR  23   0.888  10.215   1.842
  424    HA   TYR  23           HA       TYR  23  -0.852  10.192  -0.407
  425   1HB   TYR  23          1HB       TYR  23   1.935  11.030   0.117
  426   2HB   TYR  23          2HB       TYR  23   1.568  10.577  -1.545
  427    HD1  TYR  23           HD1      TYR  23   0.950  13.004   1.115
  428    HD2  TYR  23           HD2      TYR  23  -0.013  11.863  -2.870
  429    HE1  TYR  23           HE1      TYR  23  -0.045  15.218   0.728
  430    HE2  TYR  23           HE2      TYR  23  -1.010  14.075  -3.268
  431    HH   TYR  23           HH       TYR  23  -1.897  15.934  -2.103
  432    H    HIS  24           H        HIS  24  -1.481   8.355  -1.255
  433    HA   HIS  24           HA       HIS  24   0.574   6.439  -2.081
  434   1HB   HIS  24          1HB       HIS  24  -0.421   5.619   0.017
  435   2HB   HIS  24          2HB       HIS  24  -2.022   5.714  -0.707
  436    HD1  HIS  24           HD1      HIS  24   1.244   3.843  -1.134
  437    HD2  HIS  24           HD2      HIS  24  -2.788   3.496  -2.067
  438    HE1  HIS  24           HE1      HIS  24   0.974   1.528  -2.076
  439    HE2  HIS  24           HE2      HIS  24  -1.427   1.424  -2.826
  440    H    TYR  25           H        TYR  25   0.483   6.380  -4.188
  441    HA   TYR  25           HA       TYR  25  -0.242   6.172  -6.327
  442   1HB   TYR  25          1HB       TYR  25  -2.948   5.632  -5.076
  443   2HB   TYR  25          2HB       TYR  25  -2.624   5.547  -6.802
  444    HD1  TYR  25           HD1      TYR  25  -3.786   3.249  -5.809
  445    HD2  TYR  25           HD2      TYR  25   0.306   4.363  -5.488
  446    HE1  TYR  25           HE1      TYR  25  -3.173   0.886  -5.551
  447    HE2  TYR  25           HE2      TYR  25   0.932   1.998  -5.232
  448    HH   TYR  25           HH       TYR  25  -1.114  -0.547  -5.918
  449    H    GLY  26           H        GLY  26  -0.392   8.662  -4.630
  450   1HA   GLY  26          1HA       GLY  26  -0.546  10.852  -5.520
  451   2HA   GLY  26          2HA       GLY  26  -1.729  10.270  -6.681
  452    H    LEU  27           H        LEU  27  -2.931   8.831  -4.214
  453    HA   LEU  27           HA       LEU  27  -4.484  11.149  -3.269
  454   1HB   LEU  27          1HB       LEU  27  -5.240   8.296  -3.824
  455   2HB   LEU  27          2HB       LEU  27  -6.213   9.303  -2.769
  456    HG   LEU  27           HG       LEU  27  -5.566  10.139  -5.582
  457   1HD1  LEU  27          1HD1      LEU  27  -7.741   9.214  -6.225
  458   2HD1  LEU  27          2HD1      LEU  27  -7.909   8.507  -4.617
  459   3HD1  LEU  27          3HD1      LEU  27  -6.630   7.951  -5.695
  460   1HD2  LEU  27          1HD2      LEU  27  -7.627  11.453  -5.272
  461   2HD2  LEU  27          2HD2      LEU  27  -6.380  11.872  -4.096
  462   3HD2  LEU  27          3HD2      LEU  27  -7.737  10.852  -3.616
  463    H    LEU  28           H        LEU  28  -5.294  11.018  -1.072
  464    HA   LEU  28           HA       LEU  28  -3.483   9.721   0.758
  465   1HB   LEU  28          1HB       LEU  28  -6.052  11.234   1.297
  466   2HB   LEU  28          2HB       LEU  28  -4.962  10.643   2.528
  467    HG   LEU  28           HG       LEU  28  -4.553  12.955   2.341
  468   1HD1  LEU  28          1HD1      LEU  28  -2.539  11.623   2.535
  469   2HD1  LEU  28          2HD1      LEU  28  -2.238  13.080   1.587
  470   3HD1  LEU  28          3HD1      LEU  28  -2.417  11.522   0.778
  471   1HD2  LEU  28          1HD2      LEU  28  -4.043  14.102   0.255
  472   2HD2  LEU  28          2HD2      LEU  28  -5.638  13.352   0.190
  473   3HD2  LEU  28          3HD2      LEU  28  -4.276  12.601  -0.641
  474    H    THR  29           H        THR  29  -3.699   7.529   0.518
  475    HA   THR  29           HA       THR  29  -6.380   6.442   1.035
  476    HB   THR  29           HB       THR  29  -5.811   4.564  -0.508
  477    HG1  THR  29           HG1      THR  29  -3.901   6.055  -1.839
  478   1HG2  THR  29          1HG2      THR  29  -5.797   7.335  -1.726
  479   2HG2  THR  29          2HG2      THR  29  -7.228   6.420  -1.244
  480   3HG2  THR  29          3HG2      THR  29  -6.219   5.842  -2.569
  481    H    CYS  30           H        CYS  30  -6.353   4.208   1.856
  482    HA   CYS  30           HA       CYS  30  -4.183   3.970   3.811
  483   1HB   CYS  30          1HB       CYS  30  -6.081   2.455   4.895
  484   2HB   CYS  30          2HB       CYS  30  -6.054   4.205   5.098
  485    HG   CYS  30           HG       CYS  30  -8.501   4.390   4.389
  486    H    GLU  31           H        GLU  31  -3.998   1.668   4.692
  487    HA   GLU  31           HA       GLU  31  -2.927   0.064   2.634
  488   1HB   GLU  31          1HB       GLU  31  -2.368  -1.516   4.375
  489   2HB   GLU  31          2HB       GLU  31  -2.051   0.110   4.949
  490   1HG   GLU  31          1HG       GLU  31  -4.406  -1.623   5.682
  491   2HG   GLU  31          2HG       GLU  31  -3.025  -1.231   6.705
  492    H    SER  32           H        SER  32  -5.933  -0.082   4.448
  493    HA   SER  32           HA       SER  32  -6.832  -2.586   3.586
  494   1HB   SER  32          1HB       SER  32  -8.488  -0.127   4.206
  495   2HB   SER  32          2HB       SER  32  -9.053  -1.798   4.228
  496    HG   SER  32           HG       SER  32  -7.067  -0.646   5.920
  497    H    CYS  33           H        CYS  33  -7.157   0.616   2.120
  498    HA   CYS  33           HA       CYS  33  -8.814  -0.322  -0.017
  499   1HB   CYS  33          1HB       CYS  33  -7.359   2.294   0.383
  500   2HB   CYS  33          2HB       CYS  33  -8.448   1.964  -0.963
  501    HG   CYS  33           HG       CYS  33  -9.187   3.134   1.962
  502    H    LYS  34           H        LYS  34  -5.361   0.538   0.290
  503    HA   LYS  34           HA       LYS  34  -4.732   0.145  -2.428
  504   1HB   LYS  34          1HB       LYS  34  -2.434   0.060  -1.795
  505   2HB   LYS  34          2HB       LYS  34  -3.215   1.222  -0.735
  506   1HG   LYS  34          1HG       LYS  34  -3.183  -0.295   1.089
  507   2HG   LYS  34          2HG       LYS  34  -2.694  -1.632   0.049
  508   1HD   LYS  34          1HD       LYS  34  -0.566  -0.449  -0.402
  509   2HD   LYS  34          2HD       LYS  34  -1.059   0.811   0.733
  510   1HE   LYS  34          1HE       LYS  34  -1.123  -0.800   2.542
  511   2HE   LYS  34          2HE       LYS  34  -0.746  -2.110   1.423
  512   1HZ   LYS  34          1HZ       LYS  34   1.039   0.176   2.065
  513   2HZ   LYS  34          2HZ       LYS  34   1.399  -1.089   0.998
  514   3HZ   LYS  34          3HZ       LYS  34   1.208  -1.405   2.648
  515    H    GLY  35           H        GLY  35  -4.968  -2.079   0.282
  516   1HA   GLY  35          1HA       GLY  35  -3.931  -4.366  -0.992
  517   2HA   GLY  35          2HA       GLY  35  -5.054  -4.367   0.362
  518    H    PHE  36           H        PHE  36  -7.313  -3.351  -0.522
  519    HA   PHE  36           HA       PHE  36  -8.462  -5.415  -2.031
  520   1HB   PHE  36          1HB       PHE  36  -9.816  -4.091  -0.532
  521   2HB   PHE  36          2HB       PHE  36  -9.475  -2.626  -1.448
  522    HD1  PHE  36           HD1      PHE  36 -10.958  -6.016  -1.890
  523    HD2  PHE  36           HD2      PHE  36 -11.001  -1.912  -3.013
  524    HE1  PHE  36           HE1      PHE  36 -12.950  -6.419  -3.277
  525    HE2  PHE  36           HE2      PHE  36 -12.993  -2.308  -4.400
  526    HZ   PHE  36           HZ       PHE  36 -13.969  -4.564  -4.533
  527    H    PHE  37           H        PHE  37  -7.279  -2.241  -2.986
  528    HA   PHE  37           HA       PHE  37  -8.291  -2.159  -5.586
  529   1HB   PHE  37          1HB       PHE  37  -7.166  -0.291  -4.283
  530   2HB   PHE  37          2HB       PHE  37  -5.629  -1.026  -4.722
  531    HD1  PHE  37           HD1      PHE  37  -4.635  -0.573  -6.790
  532    HD2  PHE  37           HD2      PHE  37  -8.706   0.466  -6.129
  533    HE1  PHE  37           HE1      PHE  37  -4.658   0.679  -8.908
  534    HE2  PHE  37           HE2      PHE  37  -8.736   1.718  -8.244
  535    HZ   PHE  37           HZ       PHE  37  -6.710   1.826  -9.637
  536    H    LYS  38           H        LYS  38  -5.092  -3.278  -4.447
  537    HA   LYS  38           HA       LYS  38  -4.237  -4.156  -7.000
  538   1HB   LYS  38          1HB       LYS  38  -3.315  -5.119  -4.290
  539   2HB   LYS  38          2HB       LYS  38  -2.488  -5.399  -5.814
  540   1HG   LYS  38          1HG       LYS  38  -2.306  -2.890  -6.027
  541   2HG   LYS  38          2HG       LYS  38  -2.850  -2.804  -4.352
  542   1HD   LYS  38          1HD       LYS  38  -0.334  -4.058  -5.433
  543   2HD   LYS  38          2HD       LYS  38  -0.479  -2.722  -4.293
  544   1HE   LYS  38          1HE       LYS  38   0.038  -4.435  -2.861
  545   2HE   LYS  38          2HE       LYS  38  -1.722  -4.526  -2.837
  546   1HZ   LYS  38          1HZ       LYS  38  -0.934  -6.720  -3.120
  547   2HZ   LYS  38          2HZ       LYS  38   0.162  -6.263  -4.331
  548   3HZ   LYS  38          3HZ       LYS  38  -1.496  -6.243  -4.646
  549    H    ARG  39           H        ARG  39  -5.908  -5.770  -4.344
  550    HA   ARG  39           HA       ARG  39  -5.765  -8.404  -5.238
  551   1HB   ARG  39          1HB       ARG  39  -7.952  -6.976  -3.722
  552   2HB   ARG  39          2HB       ARG  39  -7.953  -8.711  -4.006
  553   1HG   ARG  39          1HG       ARG  39  -5.984  -9.007  -2.710
  554   2HG   ARG  39          2HG       ARG  39  -5.717  -7.265  -2.612
  555   1HD   ARG  39          1HD       ARG  39  -7.832  -7.054  -1.346
  556   2HD   ARG  39          2HD       ARG  39  -7.997  -8.809  -1.380
  557    HE   ARG  39           HE       ARG  39  -5.621  -8.619  -0.260
  558   1HH1  ARG  39          1HH1      ARG  39  -8.468  -6.674   0.377
  559   2HH1  ARG  39          2HH1      ARG  39  -8.051  -6.380   2.031
  560   1HH2  ARG  39          1HH2      ARG  39  -5.073  -8.234   1.903
  561   2HH2  ARG  39          2HH2      ARG  39  -6.114  -7.279   2.910
  562    H    THR  40           H        THR  40  -8.121  -5.886  -6.043
  563    HA   THR  40           HA       THR  40  -9.721  -7.505  -7.713
  564    HB   THR  40           HB       THR  40  -9.372  -4.505  -7.872
  565    HG1  THR  40           HG1      THR  40  -9.965  -4.870  -5.790
  566   1HG2  THR  40          1HG2      THR  40 -10.616  -5.491  -9.740
  567   2HG2  THR  40          2HG2      THR  40 -11.678  -4.539  -8.702
  568   3HG2  THR  40          3HG2      THR  40 -11.692  -6.300  -8.601
  569    H    VAL  41           H        VAL  41  -7.138  -5.161  -8.457
  570    HA   VAL  41           HA       VAL  41  -7.287  -5.459 -11.259
  571    HB   VAL  41           HB       VAL  41  -4.963  -4.514  -9.572
  572   1HG1  VAL  41          1HG1      VAL  41  -4.223  -5.130 -11.805
  573   2HG1  VAL  41          2HG1      VAL  41  -4.200  -3.378 -11.610
  574   3HG1  VAL  41          3HG1      VAL  41  -5.501  -4.147 -12.519
  575   1HG2  VAL  41          1HG2      VAL  41  -7.150  -2.957 -10.955
  576   2HG2  VAL  41          2HG2      VAL  41  -5.777  -2.266 -10.088
  577   3HG2  VAL  41          3HG2      VAL  41  -6.990  -3.202  -9.216
  578    H    GLN  42           H        GLN  42  -5.081  -6.940  -8.876
  579    HA   GLN  42           HA       GLN  42  -3.484  -8.209 -10.863
  580   1HB   GLN  42          1HB       GLN  42  -3.685  -8.570  -7.893
  581   2HB   GLN  42          2HB       GLN  42  -2.565  -9.492  -8.883
  582   1HG   GLN  42          1HG       GLN  42  -1.552  -7.371  -9.640
  583   2HG   GLN  42          2HG       GLN  42  -2.624  -6.503  -8.541
  584   1HE2  GLN  42          1HE2      GLN  42   0.065  -8.703  -8.787
  585   2HE2  GLN  42          2HE2      GLN  42   0.630  -8.503  -7.165
  586    H    ASN  43           H        ASN  43  -6.328  -9.240  -9.064
  587    HA   ASN  43           HA       ASN  43  -5.953 -11.978  -9.987
  588   1HB   ASN  43          1HB       ASN  43  -8.078 -10.673  -8.288
  589   2HB   ASN  43          2HB       ASN  43  -8.236 -12.322  -8.882
  590   1HD2  ASN  43          1HD2      ASN  43  -6.588 -10.210  -6.697
  591   2HD2  ASN  43          2HD2      ASN  43  -5.774 -11.443  -5.791
  592    H    ASN  44           H        ASN  44  -6.820  -9.230 -11.357
  593    HA   ASN  44           HA       ASN  44  -7.906  -8.604 -13.240
  594   1HB   ASN  44          1HB       ASN  44  -8.100 -11.567 -13.829
  595   2HB   ASN  44          2HB       ASN  44  -8.224 -10.254 -14.991
  596   1HD2  ASN  44          1HD2      ASN  44  -5.981  -8.818 -13.540
  597   2HD2  ASN  44          2HD2      ASN  44  -4.552  -9.621 -14.099
  598    H    LYS  45           H        LYS  45  -9.377  -8.736 -10.960
  599    HA   LYS  45           HA       LYS  45 -11.831 -10.193 -11.505
  600   1HB   LYS  45          1HB       LYS  45 -10.743  -8.738  -9.124
  601   2HB   LYS  45          2HB       LYS  45 -12.425  -9.220  -9.198
  602   1HG   LYS  45          1HG       LYS  45 -11.688 -11.562  -9.537
  603   2HG   LYS  45          2HG       LYS  45 -10.024 -11.021  -9.293
  604   1HD   LYS  45          1HD       LYS  45 -10.507 -10.321  -7.059
  605   2HD   LYS  45          2HD       LYS  45 -12.235 -10.594  -7.291
  606   1HE   LYS  45          1HE       LYS  45 -10.080 -12.701  -7.293
  607   2HE   LYS  45          2HE       LYS  45 -11.233 -12.394  -5.995
  608   1HZ   LYS  45          1HZ       LYS  45 -13.004 -12.858  -7.726
  609   2HZ   LYS  45          2HZ       LYS  45 -12.104 -14.189  -7.185
  610   3HZ   LYS  45          3HZ       LYS  45 -11.758 -13.492  -8.694
  611    H    HIS  46           H        HIS  46 -13.818  -9.276 -11.618
  612    HA   HIS  46           HA       HIS  46 -14.091  -6.388 -11.504
  613   1HB   HIS  46          1HB       HIS  46 -15.391  -6.382 -13.652
  614   2HB   HIS  46          2HB       HIS  46 -13.681  -6.686 -13.848
  615    HD1  HIS  46           HD1      HIS  46 -16.930  -7.959 -14.815
  616    HD2  HIS  46           HD2      HIS  46 -13.134  -9.499 -14.215
  617    HE1  HIS  46           HE1      HIS  46 -16.909 -10.172 -16.019
  618    HE2  HIS  46           HE2      HIS  46 -14.625 -11.146 -15.551
  619    H    TYR  47           H        TYR  47 -15.327  -6.503  -9.742
  620    HA   TYR  47           HA       TYR  47 -17.245  -8.550  -9.287
  621   1HB   TYR  47          1HB       TYR  47 -16.942  -5.902  -7.858
  622   2HB   TYR  47          2HB       TYR  47 -17.814  -7.310  -7.267
  623    HD1  TYR  47           HD1      TYR  47 -14.534  -5.795  -7.773
  624    HD2  TYR  47           HD2      TYR  47 -16.601  -9.263  -6.431
  625    HE1  TYR  47           HE1      TYR  47 -12.488  -6.577  -6.660
  626    HE2  TYR  47           HE2      TYR  47 -14.559 -10.055  -5.316
  627    HH   TYR  47           HH       TYR  47 -11.818  -8.049  -4.879
  628    H    THR  48           H        THR  48 -19.527  -8.004  -8.684
  629    HA   THR  48           HA       THR  48 -20.653  -5.969 -10.484
  630    HB   THR  48           HB       THR  48 -22.757  -7.475 -10.338
  631    HG1  THR  48           HG1      THR  48 -22.444  -9.555  -9.730
  632   1HG2  THR  48          1HG2      THR  48 -20.325  -8.401 -11.874
  633   2HG2  THR  48          2HG2      THR  48 -21.471  -7.164 -12.390
  634   3HG2  THR  48          3HG2      THR  48 -21.995  -8.840 -12.233
  635    H    CYS  49           H        CYS  49 -22.929  -5.303  -9.691
  636    HA   CYS  49           HA       CYS  49 -22.886  -5.085  -6.751
  637   1HB   CYS  49          1HB       CYS  49 -22.350  -2.925  -7.688
  638   2HB   CYS  49          2HB       CYS  49 -23.723  -3.014  -8.787
  639    HG   CYS  49           HG       CYS  49 -23.751  -2.473  -5.419
  640    H    THR  50           H        THR  50 -24.968  -4.948  -9.620
  641    HA   THR  50           HA       THR  50 -27.033  -5.783 -10.048
  642    HB   THR  50           HB       THR  50 -26.926  -7.111  -7.333
  643    HG1  THR  50           HG1      THR  50 -25.496  -7.569  -9.586
  644   1HG2  THR  50          1HG2      THR  50 -28.522  -7.749  -9.820
  645   2HG2  THR  50          2HG2      THR  50 -29.162  -7.047  -8.334
  646   3HG2  THR  50          3HG2      THR  50 -28.519  -8.689  -8.329
  647    H    GLU  51           H        GLU  51 -26.659  -4.574  -6.733
  648    HA   GLU  51           HA       GLU  51 -29.332  -3.916  -6.252
  649   1HB   GLU  51          1HB       GLU  51 -26.832  -2.628  -5.152
  650   2HB   GLU  51          2HB       GLU  51 -28.447  -2.423  -4.492
  651   1HG   GLU  51          1HG       GLU  51 -26.890  -4.995  -4.638
  652   2HG   GLU  51          2HG       GLU  51 -27.191  -4.030  -3.194
  653    H    SER  52           H        SER  52 -26.696  -1.769  -7.359
  654    HA   SER  52           HA       SER  52 -28.524  -0.135  -8.849
  655   1HB   SER  52          1HB       SER  52 -28.935   0.568  -6.470
  656   2HB   SER  52          2HB       SER  52 -27.265   1.123  -6.403
  657    HG   SER  52           HG       SER  52 -28.907   2.031  -8.491
  658    H    GLN  53           H        GLN  53 -25.332  -0.720  -7.579
  659    HA   GLN  53           HA       GLN  53 -23.278  -0.528  -8.506
  660   1HB   GLN  53          1HB       GLN  53 -24.674   0.772 -10.847
  661   2HB   GLN  53          2HB       GLN  53 -22.955   0.407 -10.782
  662   1HG   GLN  53          1HG       GLN  53 -23.567  -1.995 -10.459
  663   2HG   GLN  53          2HG       GLN  53 -25.242  -1.543 -10.775
  664   1HE2  GLN  53          1HE2      GLN  53 -25.390  -2.777 -12.615
  665   2HE2  GLN  53          2HE2      GLN  53 -24.571  -2.373 -14.089
  666    H    SER  54           H        SER  54 -25.261   2.390  -8.944
  667    HA   SER  54           HA       SER  54 -22.995   4.057  -8.222
  668   1HB   SER  54          1HB       SER  54 -24.690   4.714  -9.996
  669   2HB   SER  54          2HB       SER  54 -25.856   4.932  -8.692
  670    HG   SER  54           HG       SER  54 -25.032   6.831  -8.420
  671    H    CYS  55           H        CYS  55 -22.941   2.798  -6.163
  672    HA   CYS  55           HA       CYS  55 -24.958   3.554  -4.202
  673   1HB   CYS  55          1HB       CYS  55 -22.559   1.730  -3.921
  674   2HB   CYS  55          2HB       CYS  55 -23.847   1.937  -2.738
  675    HG   CYS  55           HG       CYS  55 -24.318  -0.507  -3.865
  676    H    LYS  56           H        LYS  56 -24.348   4.446  -2.149
  677    HA   LYS  56           HA       LYS  56 -22.351   6.521  -2.441
  678   1HB   LYS  56          1HB       LYS  56 -24.135   5.909  -0.075
  679   2HB   LYS  56          2HB       LYS  56 -23.223   7.389  -0.347
  680   1HG   LYS  56          1HG       LYS  56 -24.603   7.964  -2.219
  681   2HG   LYS  56          2HG       LYS  56 -25.435   6.410  -2.133
  682   1HD   LYS  56          1HD       LYS  56 -26.224   7.024   0.141
  683   2HD   LYS  56          2HD       LYS  56 -25.500   8.619  -0.081
  684   1HE   LYS  56          1HE       LYS  56 -27.907   8.617  -0.568
  685   2HE   LYS  56          2HE       LYS  56 -26.940   9.041  -1.981
  686   1HZ   LYS  56          1HZ       LYS  56 -27.222   6.830  -2.842
  687   2HZ   LYS  56          2HZ       LYS  56 -28.748   7.473  -2.483
  688   3HZ   LYS  56          3HZ       LYS  56 -28.041   6.334  -1.445
  689    H    ILE  57           H        ILE  57 -20.473   5.195  -2.481
  690    HA   ILE  57           HA       ILE  57 -19.817   3.364  -0.448
  691    HB   ILE  57           HB       ILE  57 -17.935   4.903  -2.237
  692   1HG1  ILE  57          1HG1      ILE  57 -19.581   3.594  -3.491
  693   2HG1  ILE  57          2HG1      ILE  57 -17.980   2.874  -3.631
  694   1HG2  ILE  57          1HG2      ILE  57 -16.343   3.094  -1.777
  695   2HG2  ILE  57          2HG2      ILE  57 -17.490   2.378  -0.643
  696   3HG2  ILE  57          3HG2      ILE  57 -16.785   3.958  -0.304
  697   1HD1  ILE  57          1HD1      ILE  57 -19.702   1.182  -3.317
  698   2HD1  ILE  57          2HD1      ILE  57 -20.180   1.937  -1.797
  699   3HD1  ILE  57          3HD1      ILE  57 -18.582   1.206  -1.956
  700    H    ASP  58           H        ASP  58 -20.000   4.045   1.547
  701    HA   ASP  58           HA       ASP  58 -18.229   6.213   2.460
  702   1HB   ASP  58          1HB       ASP  58 -19.854   6.949   4.013
  703   2HB   ASP  58          2HB       ASP  58 -20.784   6.658   2.545
  704    H    LYS  59           H        LYS  59 -18.658   5.692   5.213
  705    HA   LYS  59           HA       LYS  59 -16.848   3.632   5.702
  706   1HB   LYS  59          1HB       LYS  59 -17.347   5.484   7.262
  707   2HB   LYS  59          2HB       LYS  59 -18.914   4.763   7.594
  708   1HG   LYS  59          1HG       LYS  59 -17.868   2.832   8.585
  709   2HG   LYS  59          2HG       LYS  59 -16.269   3.434   8.144
  710   1HD   LYS  59          1HD       LYS  59 -18.201   4.802  10.016
  711   2HD   LYS  59          2HD       LYS  59 -16.799   3.851  10.510
  712   1HE   LYS  59          1HE       LYS  59 -15.307   5.414   9.425
  713   2HE   LYS  59          2HE       LYS  59 -16.676   6.322   8.784
  714   1HZ   LYS  59          1HZ       LYS  59 -15.986   6.009  11.658
  715   2HZ   LYS  59          2HZ       LYS  59 -17.332   6.854  11.053
  716   3HZ   LYS  59          3HZ       LYS  59 -15.764   7.403  10.724
  717    H    THR  60           H        THR  60 -20.375   3.561   5.496
  718    HA   THR  60           HA       THR  60 -20.434   0.840   6.512
  719    HB   THR  60           HB       THR  60 -22.887   0.975   6.252
  720    HG1  THR  60           HG1      THR  60 -22.219   3.386   4.970
  721   1HG2  THR  60          1HG2      THR  60 -21.640   3.288   7.729
  722   2HG2  THR  60          2HG2      THR  60 -21.851   1.649   8.345
  723   3HG2  THR  60          3HG2      THR  60 -23.261   2.652   8.002
  724    H    GLN  61           H        GLN  61 -21.235   2.486   3.429
  725    HA   GLN  61           HA       GLN  61 -22.070  -0.010   2.261
  726   1HB   GLN  61          1HB       GLN  61 -21.683   2.717   1.035
  727   2HB   GLN  61          2HB       GLN  61 -22.329   1.327   0.174
  728   1HG   GLN  61          1HG       GLN  61 -24.140   1.219   1.903
  729   2HG   GLN  61          2HG       GLN  61 -23.544   2.761   2.517
  730   1HE2  GLN  61          1HE2      GLN  61 -25.444   3.836   2.027
  731   2HE2  GLN  61          2HE2      GLN  61 -25.910   4.200   0.403
  732    H    ARG  62           H        ARG  62 -19.035   1.389   2.686
  733    HA   ARG  62           HA       ARG  62 -17.795   0.768   0.243
  734   1HB   ARG  62          1HB       ARG  62 -15.680   0.956   1.416
  735   2HB   ARG  62          2HB       ARG  62 -16.768   2.240   1.914
  736   1HG   ARG  62          1HG       ARG  62 -17.311   0.834   3.941
  737   2HG   ARG  62          2HG       ARG  62 -15.967  -0.209   3.464
  738   1HD   ARG  62          1HD       ARG  62 -14.490   1.786   3.482
  739   2HD   ARG  62          2HD       ARG  62 -15.837   2.732   4.106
  740    HE   ARG  62           HE       ARG  62 -15.086   0.404   5.669
  741   1HH1  ARG  62          1HH1      ARG  62 -14.900   3.874   5.231
  742   2HH1  ARG  62          2HH1      ARG  62 -14.239   4.163   6.812
  743   1HH2  ARG  62          1HH2      ARG  62 -14.203   0.793   7.757
  744   2HH2  ARG  62          2HH2      ARG  62 -13.823   2.425   8.233
  745    H    LYS  63           H        LYS  63 -18.724  -1.228   2.903
  746    HA   LYS  63           HA       LYS  63 -17.104  -3.455   1.921
  747   1HB   LYS  63          1HB       LYS  63 -17.787  -4.615   3.965
  748   2HB   LYS  63          2HB       LYS  63 -17.075  -3.050   4.327
  749   1HG   LYS  63          1HG       LYS  63 -19.370  -2.133   4.559
  750   2HG   LYS  63          2HG       LYS  63 -19.996  -3.767   4.363
  751   1HD   LYS  63          1HD       LYS  63 -18.136  -2.805   6.533
  752   2HD   LYS  63          2HD       LYS  63 -19.853  -3.167   6.717
  753   1HE   LYS  63          1HE       LYS  63 -17.771  -5.152   5.849
  754   2HE   LYS  63          2HE       LYS  63 -18.344  -4.976   7.506
  755   1HZ   LYS  63          1HZ       LYS  63 -20.631  -5.414   6.578
  756   2HZ   LYS  63          2HZ       LYS  63 -19.567  -6.729   6.567
  757   3HZ   LYS  63          3HZ       LYS  63 -19.877  -5.885   5.132
  758    H    ARG  64           H        ARG  64 -20.118  -2.161   1.387
  759    HA   ARG  64           HA       ARG  64 -21.585  -4.657   1.299
  760   1HB   ARG  64          1HB       ARG  64 -22.399  -1.854   0.520
  761   2HB   ARG  64          2HB       ARG  64 -23.471  -3.246   0.518
  762   1HG   ARG  64          1HG       ARG  64 -23.054  -3.501   2.951
  763   2HG   ARG  64          2HG       ARG  64 -22.118  -2.006   2.903
  764   1HD   ARG  64          1HD       ARG  64 -24.376  -1.549   3.651
  765   2HD   ARG  64          2HD       ARG  64 -24.099  -0.810   2.074
  766    HE   ARG  64           HE       ARG  64 -25.212  -3.123   1.352
  767   1HH1  ARG  64          1HH1      ARG  64 -26.130  -0.883   3.892
  768   2HH1  ARG  64          2HH1      ARG  64 -27.830  -1.244   3.769
  769   1HH2  ARG  64          1HH2      ARG  64 -27.433  -3.598   1.188
  770   2HH2  ARG  64          2HH2      ARG  64 -28.573  -2.795   2.226
  771    H    CYS  65           H        CYS  65 -20.053  -2.443  -0.938
  772    HA   CYS  65           HA       CYS  65 -20.623  -4.360  -3.085
  773   1HB   CYS  65          1HB       CYS  65 -20.800  -1.352  -3.296
  774   2HB   CYS  65          2HB       CYS  65 -20.872  -2.456  -4.663
  775    HG   CYS  65           HG       CYS  65 -23.115  -3.382  -2.465
  776    HA   PRO  66           HA       PRO  66 -16.082  -3.955  -3.083
  777   1HB   PRO  66          1HB       PRO  66 -16.460  -6.201  -4.981
  778   2HB   PRO  66          2HB       PRO  66 -15.405  -6.089  -3.569
  779   1HG   PRO  66          1HG       PRO  66 -17.617  -7.582  -3.514
  780   2HG   PRO  66          2HG       PRO  66 -17.101  -6.654  -2.093
  781   1HD   PRO  66          1HD       PRO  66 -19.260  -6.046  -4.075
  782   2HD   PRO  66          2HD       PRO  66 -19.250  -5.819  -2.313
  783    H    PHE  67           H        PHE  67 -18.201  -4.558  -5.861
  784    HA   PHE  67           HA       PHE  67 -16.550  -3.548  -7.884
  785   1HB   PHE  67          1HB       PHE  67 -18.466  -4.776  -8.547
  786   2HB   PHE  67          2HB       PHE  67 -19.545  -3.763  -7.596
  787    HD1  PHE  67           HD1      PHE  67 -17.213  -3.581 -10.501
  788    HD2  PHE  67           HD2      PHE  67 -20.739  -2.094  -8.638
  789    HE1  PHE  67           HE1      PHE  67 -17.688  -2.217 -12.494
  790    HE2  PHE  67           HE2      PHE  67 -21.219  -0.728 -10.626
  791    HZ   PHE  67           HZ       PHE  67 -19.693  -0.789 -12.558
  792    H    CYS  68           H        CYS  68 -19.078  -1.940  -5.989
  793    HA   CYS  68           HA       CYS  68 -18.793   0.569  -7.230
  794   1HB   CYS  68          1HB       CYS  68 -19.878  -0.049  -4.479
  795   2HB   CYS  68          2HB       CYS  68 -20.185   1.409  -5.420
  796    HG   CYS  68           HG       CYS  68 -21.956   0.418  -7.089
  797    H    ARG  69           H        ARG  69 -17.267  -0.885  -4.395
  798    HA   ARG  69           HA       ARG  69 -15.972   1.484  -3.517
  799   1HB   ARG  69          1HB       ARG  69 -16.257  -0.488  -2.064
  800   2HB   ARG  69          2HB       ARG  69 -15.149  -1.395  -3.087
  801   1HG   ARG  69          1HG       ARG  69 -13.369   0.213  -2.547
  802   2HG   ARG  69          2HG       ARG  69 -14.483   1.055  -1.470
  803   1HD   ARG  69          1HD       ARG  69 -14.720  -1.006  -0.147
  804   2HD   ARG  69          2HD       ARG  69 -13.554  -1.800  -1.207
  805    HE   ARG  69           HE       ARG  69 -12.297   0.470  -0.291
  806   1HH1  ARG  69          1HH1      ARG  69 -13.709  -2.391   1.122
  807   2HH1  ARG  69          2HH1      ARG  69 -12.661  -2.387   2.502
  808   1HH2  ARG  69          1HH2      ARG  69 -10.910   0.498   1.539
  809   2HH2  ARG  69          2HH2      ARG  69 -11.082  -0.733   2.754
  810    H    PHE  70           H        PHE  70 -15.069  -1.117  -5.716
  811    HA   PHE  70           HA       PHE  70 -12.432  -0.276  -6.219
  812   1HB   PHE  70          1HB       PHE  70 -13.239  -2.490  -6.871
  813   2HB   PHE  70          2HB       PHE  70 -14.371  -1.765  -8.007
  814    HD1  PHE  70           HD1      PHE  70 -13.780  -1.741 -10.211
  815    HD2  PHE  70           HD2      PHE  70 -10.711  -1.727  -7.264
  816    HE1  PHE  70           HE1      PHE  70 -12.084  -1.858 -11.984
  817    HE2  PHE  70           HE2      PHE  70  -9.006  -1.844  -9.033
  818    HZ   PHE  70           HZ       PHE  70  -9.691  -1.909 -11.399
  819    H    GLN  71           H        GLN  71 -15.434   0.319  -8.055
  820    HA   GLN  71           HA       GLN  71 -14.303   2.125  -9.893
  821   1HB   GLN  71          1HB       GLN  71 -17.159   2.027  -8.906
  822   2HB   GLN  71          2HB       GLN  71 -16.602   2.828 -10.368
  823   1HG   GLN  71          1HG       GLN  71 -16.529  -0.130  -9.813
  824   2HG   GLN  71          2HG       GLN  71 -17.652   0.707 -10.882
  825   1HE2  GLN  71          1HE2      GLN  71 -15.565   2.495 -11.907
  826   2HE2  GLN  71          2HE2      GLN  71 -14.615   1.536 -12.990
  827    H    LYS  72           H        LYS  72 -15.434   2.521  -6.643
  828    HA   LYS  72           HA       LYS  72 -15.622   5.308  -6.499
  829   1HB   LYS  72          1HB       LYS  72 -16.436   3.701  -4.779
  830   2HB   LYS  72          2HB       LYS  72 -14.767   3.359  -4.348
  831   1HG   LYS  72          1HG       LYS  72 -15.619   4.874  -2.751
  832   2HG   LYS  72          2HG       LYS  72 -14.510   5.775  -3.787
  833   1HD   LYS  72          1HD       LYS  72 -16.536   6.461  -5.128
  834   2HD   LYS  72          2HD       LYS  72 -17.516   5.808  -3.814
  835   1HE   LYS  72          1HE       LYS  72 -15.409   7.923  -3.551
  836   2HE   LYS  72          2HE       LYS  72 -17.146   8.227  -3.591
  837   1HZ   LYS  72          1HZ       LYS  72 -16.195   8.186  -1.322
  838   2HZ   LYS  72          2HZ       LYS  72 -15.779   6.563  -1.535
  839   3HZ   LYS  72          3HZ       LYS  72 -17.406   7.026  -1.539
  840    H    CYS  73           H        CYS  73 -12.927   3.076  -5.937
  841    HA   CYS  73           HA       CYS  73 -10.960   4.944  -5.247
  842   1HB   CYS  73          1HB       CYS  73 -10.597   2.377  -6.820
  843   2HB   CYS  73          2HB       CYS  73  -9.342   3.239  -5.939
  844    HG   CYS  73           HG       CYS  73 -12.051   1.702  -4.513
  845    H    LEU  74           H        LEU  74 -11.826   3.571  -8.408
  846    HA   LEU  74           HA       LEU  74 -10.084   5.079  -9.977
  847   1HB   LEU  74          1HB       LEU  74 -12.696   3.713 -10.499
  848   2HB   LEU  74          2HB       LEU  74 -11.879   4.609 -11.764
  849    HG   LEU  74           HG       LEU  74  -9.942   3.140 -11.571
  850   1HD1  LEU  74          1HD1      LEU  74 -10.003   1.114 -10.240
  851   2HD1  LEU  74          2HD1      LEU  74 -11.547   1.611  -9.547
  852   3HD1  LEU  74          3HD1      LEU  74 -10.090   2.549  -9.218
  853   1HD2  LEU  74          1HD2      LEU  74 -10.987   1.125 -12.467
  854   2HD2  LEU  74          2HD2      LEU  74 -11.708   2.596 -13.128
  855   3HD2  LEU  74          3HD2      LEU  74 -12.549   1.690 -11.868
  856    H    THR  75           H        THR  75 -13.390   5.767  -8.912
  857    HA   THR  75           HA       THR  75 -13.917   8.041 -10.407
  858    HB   THR  75           HB       THR  75 -14.750   7.405  -7.568
  859    HG1  THR  75           HG1      THR  75 -15.447   5.957  -9.280
  860   1HG2  THR  75          1HG2      THR  75 -15.877   9.465  -9.466
  861   2HG2  THR  75          2HG2      THR  75 -14.976   9.802  -7.987
  862   3HG2  THR  75          3HG2      THR  75 -16.557   9.026  -7.900
  863    H    VAL  76           H        VAL  76 -12.333   7.816  -7.222
  864    HA   VAL  76           HA       VAL  76 -11.810  10.643  -7.182
  865    HB   VAL  76           HB       VAL  76 -10.571  10.207  -5.101
  866   1HG1  VAL  76          1HG1      VAL  76 -13.267   8.868  -5.302
  867   2HG1  VAL  76          2HG1      VAL  76 -12.957  10.575  -4.982
  868   3HG1  VAL  76          3HG1      VAL  76 -12.492   9.355  -3.796
  869   1HG2  VAL  76          1HG2      VAL  76  -9.650   8.009  -5.700
  870   2HG2  VAL  76          2HG2      VAL  76 -11.265   7.311  -5.586
  871   3HG2  VAL  76          3HG2      VAL  76 -10.486   7.974  -4.149
  872    H    GLY  77           H        GLY  77 -10.344   8.033  -8.722
  873   1HA   GLY  77          1HA       GLY  77  -8.742   8.455 -10.391
  874   2HA   GLY  77          2HA       GLY  77  -8.232   9.888  -9.518
  875    H    MET  78           H        MET  78  -8.540   6.620  -8.185
  876    HA   MET  78           HA       MET  78  -5.861   6.544  -7.296
  877   1HB   MET  78          1HB       MET  78  -7.990   4.453  -7.663
  878   2HB   MET  78          2HB       MET  78  -6.371   4.031  -7.118
  879   1HG   MET  78          1HG       MET  78  -7.746   6.228  -5.702
  880   2HG   MET  78          2HG       MET  78  -8.350   4.593  -5.448
  881   1HE   MET  78          1HE       MET  78  -6.947   2.648  -4.350
  882   2HE   MET  78          2HE       MET  78  -5.216   2.764  -4.027
  883   3HE   MET  78          3HE       MET  78  -5.810   2.815  -5.688
  884    H    ARG  79           H        ARG  79  -4.064   5.710  -8.184
  885    HA   ARG  79           HA       ARG  79  -3.962   5.639 -11.030
  886   1HB   ARG  79          1HB       ARG  79  -1.898   5.182  -8.886
  887   2HB   ARG  79          2HB       ARG  79  -1.525   5.090 -10.601
  888   1HG   ARG  79          1HG       ARG  79  -2.620   7.508  -9.183
  889   2HG   ARG  79          2HG       ARG  79  -0.933   7.257  -9.637
  890   1HD   ARG  79          1HD       ARG  79  -1.876   6.918 -12.019
  891   2HD   ARG  79          2HD       ARG  79  -3.317   7.717 -11.389
  892    HE   ARG  79           HE       ARG  79  -1.320   9.393 -10.677
  893   1HH1  ARG  79          1HH1      ARG  79  -2.231   7.902 -13.702
  894   2HH1  ARG  79          2HH1      ARG  79  -1.647   9.215 -14.681
  895   1HH2  ARG  79          1HH2      ARG  79  -0.480  11.104 -11.957
  896   2HH2  ARG  79          2HH2      ARG  79  -0.614  11.019 -13.692
  897    H    LEU  80           H        LEU  80  -4.532   3.957 -12.199
  898    HA   LEU  80           HA       LEU  80  -4.559   1.270 -11.228
  899   1HB   LEU  80          1HB       LEU  80  -5.015   2.548 -13.901
  900   2HB   LEU  80          2HB       LEU  80  -4.828   0.811 -13.792
  901    HG   LEU  80           HG       LEU  80  -7.173   1.399 -13.854
  902   1HD1  LEU  80          1HD1      LEU  80  -6.339   0.457 -11.119
  903   2HD1  LEU  80          2HD1      LEU  80  -6.543  -0.549 -12.553
  904   3HD1  LEU  80          3HD1      LEU  80  -7.938   0.259 -11.838
  905   1HD2  LEU  80          1HD2      LEU  80  -8.228   2.684 -12.062
  906   2HD2  LEU  80          2HD2      LEU  80  -7.048   3.651 -12.948
  907   3HD2  LEU  80          3HD2      LEU  80  -6.642   3.003 -11.359
  908    H    GLU  81           H        GLU  81  -2.274   3.266 -12.955
  909    HA   GLU  81           HA       GLU  81  -0.667   1.017 -13.803
  910   1HB   GLU  81          1HB       GLU  81   0.861   2.722 -14.700
  911   2HB   GLU  81          2HB       GLU  81  -0.789   2.973 -15.244
  912   1HG   GLU  81          1HG       GLU  81   0.298   4.452 -12.880
  913   2HG   GLU  81          2HG       GLU  81   0.607   4.998 -14.521
  914    H    ALA  82           H        ALA  82  -1.015   2.801 -10.972
  915    HA   ALA  82           HA       ALA  82   1.733   2.729 -10.129
  916   1HB   ALA  82          1HB       ALA  82   0.900   3.532  -7.988
  917   2HB   ALA  82          2HB       ALA  82  -0.759   3.247  -8.517
  918   3HB   ALA  82          3HB       ALA  82   0.226   4.469  -9.321
  919    H    VAL  83           H        VAL  83  -0.906   0.551 -10.098
  920    HA   VAL  83           HA       VAL  83  -0.369  -1.030  -7.862
  921    HB   VAL  83           HB       VAL  83  -1.352  -2.000 -10.554
  922   1HG1  VAL  83          1HG1      VAL  83  -2.451  -3.771  -9.251
  923   2HG1  VAL  83          2HG1      VAL  83  -1.673  -3.164  -7.790
  924   3HG1  VAL  83          3HG1      VAL  83  -0.695  -3.827  -9.098
  925   1HG2  VAL  83          1HG2      VAL  83  -2.906  -0.938  -8.201
  926   2HG2  VAL  83          2HG2      VAL  83  -3.601  -1.657  -9.654
  927   3HG2  VAL  83          3HG2      VAL  83  -2.701  -0.145  -9.764
  928    H    ARG  84           H        ARG  84   1.574  -1.815  -7.357
  929    HA   ARG  84           HA       ARG  84   3.504  -2.448  -9.382
  930   1HB   ARG  84          1HB       ARG  84   3.589  -2.837  -6.389
  931   2HB   ARG  84          2HB       ARG  84   4.941  -3.128  -7.473
  932   1HG   ARG  84          1HG       ARG  84   3.587  -0.472  -7.036
  933   2HG   ARG  84          2HG       ARG  84   5.122  -0.977  -6.330
  934   1HD   ARG  84          1HD       ARG  84   5.734   0.332  -8.168
  935   2HD   ARG  84          2HD       ARG  84   5.910  -1.326  -8.737
  936    HE   ARG  84           HE       ARG  84   3.393   0.049  -9.295
  937   1HH1  ARG  84          1HH1      ARG  84   6.494  -1.092 -10.465
  938   2HH1  ARG  84          2HH1      ARG  84   6.017  -1.046 -12.139
  939   1HH2  ARG  84          1HH2      ARG  84   2.788   0.147 -11.512
  940   2HH2  ARG  84          2HH2      ARG  84   3.932  -0.327 -12.728
  941    H    ALA  85           H        ALA  85   2.158  -4.040 -10.459
  942    HA   ALA  85           HA       ALA  85   1.792  -6.612  -9.233
  943   1HB   ALA  85          1HB       ALA  85   1.132  -7.347 -11.472
  944   2HB   ALA  85          2HB       ALA  85   1.682  -5.810 -12.142
  945   3HB   ALA  85          3HB       ALA  85   0.316  -5.848 -11.025
  946    H    ASP  86           H        ASP  86   4.441  -4.979 -10.218
  947    HA   ASP  86           HA       ASP  86   5.948  -7.080 -11.467
  948   1HB   ASP  86          1HB       ASP  86   6.754  -4.397 -10.326
  949   2HB   ASP  86          2HB       ASP  86   7.863  -5.485 -11.154
  950    H    ARG  87           H        ARG  87   4.887  -6.799  -8.410
  951    HA   ARG  87           HA       ARG  87   5.432  -7.731  -6.413
  952   1HB   ARG  87          1HB       ARG  87   6.039  -9.684  -7.853
  953   2HB   ARG  87          2HB       ARG  87   7.687  -9.084  -7.920
  954   1HG   ARG  87          1HG       ARG  87   7.464 -10.892  -6.316
  955   2HG   ARG  87          2HG       ARG  87   7.905  -9.385  -5.513
  956   1HD   ARG  87          1HD       ARG  87   6.211 -10.581  -4.240
  957   2HD   ARG  87          2HD       ARG  87   5.576  -9.054  -4.850
  958    HE   ARG  87           HE       ARG  87   4.450 -10.384  -6.601
  959   1HH1  ARG  87          1HH1      ARG  87   5.520 -12.009  -3.687
  960   2HH1  ARG  87          2HH1      ARG  87   4.312 -13.257  -3.787
  961   1HH2  ARG  87          1HH2      ARG  87   2.852 -12.000  -6.733
  962   2HH2  ARG  87          2HH2      ARG  87   2.788 -13.254  -5.524
  963    H    MET  88           H        MET  88   6.778  -5.290  -7.626
  964    HA   MET  88           HA       MET  88   9.166  -5.122  -5.943
  965   1HB   MET  88          1HB       MET  88   8.108  -3.219  -8.043
  966   2HB   MET  88          2HB       MET  88   9.604  -3.030  -7.165
  967   1HG   MET  88          1HG       MET  88  10.526  -4.991  -8.157
  968   2HG   MET  88          2HG       MET  88   8.994  -5.319  -8.940
  969   1HE   MET  88          1HE       MET  88  10.847  -1.872  -8.499
  970   2HE   MET  88          2HE       MET  88  11.753  -1.791 -10.010
  971   3HE   MET  88          3HE       MET  88  12.141  -3.029  -8.815
  972    H    ARG  89           H        ARG  89   8.963  -4.293  -3.989
  973    HA   ARG  89           HA       ARG  89   6.514  -3.033  -3.177
  974   1HB   ARG  89          1HB       ARG  89   9.029  -3.783  -1.697
  975   2HB   ARG  89          2HB       ARG  89   7.695  -2.939  -0.928
  976   1HG   ARG  89          1HG       ARG  89   7.343  -5.166  -0.383
  977   2HG   ARG  89          2HG       ARG  89   6.245  -4.881  -1.731
  978   1HD   ARG  89          1HD       ARG  89   7.699  -5.997  -3.250
  979   2HD   ARG  89          2HD       ARG  89   8.980  -6.093  -2.038
  980    HE   ARG  89           HE       ARG  89   6.689  -7.370  -1.039
  981   1HH1  ARG  89          1HH1      ARG  89   9.043  -7.820  -3.582
  982   2HH1  ARG  89          2HH1      ARG  89   9.020  -9.553  -3.483
  983   1HH2  ARG  89          1HH2      ARG  89   6.604  -9.623  -0.914
  984   2HH2  ARG  89          2HH2      ARG  89   7.579 -10.590  -1.991
  985    H    GLY  90           H        GLY  90   7.217  -1.270  -4.894
  986   1HA   GLY  90          1HA       GLY  90   7.484   1.130  -3.555
  987   2HA   GLY  90          2HA       GLY  90   9.114   0.677  -4.032
  988    H    GLY  91           H        GLY  91   9.754   1.538  -5.873
  989   1HA   GLY  91          1HA       GLY  91   9.677   2.048  -8.150
  990   2HA   GLY  91          2HA       GLY  91   7.965   1.641  -8.158
  991    H    ARG  92           H        ARG  92   9.301   3.780  -5.778
  992    HA   ARG  92           HA       ARG  92   7.431   5.818  -6.558
  993   1HB   ARG  92          1HB       ARG  92   7.949   5.336  -4.182
  994   2HB   ARG  92          2HB       ARG  92   9.587   5.921  -4.438
  995   1HG   ARG  92          1HG       ARG  92   8.706   8.139  -4.982
  996   2HG   ARG  92          2HG       ARG  92   7.066   7.549  -4.709
  997   1HD   ARG  92          1HD       ARG  92   7.797   8.714  -2.745
  998   2HD   ARG  92          2HD       ARG  92   7.711   6.993  -2.379
  999    HE   ARG  92           HE       ARG  92  10.327   7.897  -3.192
 1000   1HH1  ARG  92          1HH1      ARG  92   8.143   7.381  -0.502
 1001   2HH1  ARG  92          2HH1      ARG  92   9.410   7.378   0.686
 1002   1HH2  ARG  92          1HH2      ARG  92  11.994   7.875  -1.624
 1003   2HH2  ARG  92          2HH2      ARG  92  11.594   7.644   0.047
 1004    H    ASN  93           H        ASN  93   8.150   6.355  -8.630
 1005    HA   ASN  93           HA       ASN  93  10.009   8.558  -8.615
 1006   1HB   ASN  93          1HB       ASN  93  11.440   7.760 -10.414
 1007   2HB   ASN  93          2HB       ASN  93  11.517   6.629  -9.069
 1008   1HD2  ASN  93          1HD2      ASN  93  10.627   4.591  -9.297
 1009   2HD2  ASN  93          2HD2      ASN  93  10.180   3.928 -10.838
 1010    H    LYS  94           H        LYS  94   7.863   6.426 -10.397
 1011    HA   LYS  94           HA       LYS  94   7.450   7.966 -12.687
 1012   1HB   LYS  94          1HB       LYS  94   5.392   6.246 -11.290
 1013   2HB   LYS  94          2HB       LYS  94   5.401   6.701 -12.986
 1014   1HG   LYS  94          1HG       LYS  94   7.465   4.964 -11.651
 1015   2HG   LYS  94          2HG       LYS  94   6.106   4.383 -12.611
 1016   1HD   LYS  94          1HD       LYS  94   6.973   5.609 -14.555
 1017   2HD   LYS  94          2HD       LYS  94   8.348   6.150 -13.587
 1018   1HE   LYS  94          1HE       LYS  94   9.059   3.857 -13.268
 1019   2HE   LYS  94          2HE       LYS  94   7.647   3.273 -14.147
 1020   1HZ   LYS  94          1HZ       LYS  94   9.900   4.863 -15.246
 1021   2HZ   LYS  94          2HZ       LYS  94   8.488   4.502 -16.107
 1022   3HZ   LYS  94          3HZ       LYS  94   9.518   3.251 -15.605
 1023    H    PHE  95           H        PHE  95   5.830   7.989  -9.570
 1024    HA   PHE  95           HA       PHE  95   4.136  10.207 -10.442
 1025   1HB   PHE  95          1HB       PHE  95   3.904   8.516  -7.944
 1026   2HB   PHE  95          2HB       PHE  95   2.699   9.631  -8.585
 1027    HD1  PHE  95           HD1      PHE  95   1.434   9.069 -10.599
 1028    HD2  PHE  95           HD2      PHE  95   4.198   6.326  -8.882
 1029    HE1  PHE  95           HE1      PHE  95   0.461   7.251 -11.940
 1030    HE2  PHE  95           HE2      PHE  95   3.224   4.504 -10.213
 1031    HZ   PHE  95           HZ       PHE  95   1.355   4.965 -11.748
 1032    H    GLY  96           H        GLY  96   7.053  10.042  -9.381
 1033   1HA   GLY  96          1HA       GLY  96   7.279  11.335  -6.927
 1034   2HA   GLY  96          2HA       GLY  96   8.463  11.417  -8.220
 1035    HA   PRO  97           HA       PRO  97   7.519  15.587  -9.415
 1036   1HB   PRO  97          1HB       PRO  97   5.628  14.851 -11.594
 1037   2HB   PRO  97          2HB       PRO  97   7.048  15.901 -11.641
 1038   1HG   PRO  97          1HG       PRO  97   7.138  13.457 -12.682
 1039   2HG   PRO  97          2HG       PRO  97   8.523  14.119 -11.796
 1040   1HD   PRO  97          1HD       PRO  97   6.496  12.107 -10.920
 1041   2HD   PRO  97          2HD       PRO  97   8.236  12.184 -10.573
 1042    H    MET  98           H        MET  98   4.462  13.781  -9.893
 1043    HA   MET  98           HA       MET  98   2.867  16.018  -9.140
 1044   1HB   MET  98          1HB       MET  98   0.960  14.509  -9.247
 1045   2HB   MET  98          2HB       MET  98   1.997  14.289 -10.647
 1046   1HG   MET  98          1HG       MET  98   2.896  12.260  -9.722
 1047   2HG   MET  98          2HG       MET  98   2.003  12.507  -8.222
 1048   1HE   MET  98          1HE       MET  98  -0.785  13.580  -9.302
 1049   2HE   MET  98          2HE       MET  98  -0.636  12.369  -8.030
 1050   3HE   MET  98          3HE       MET  98  -1.705  12.079  -9.402
 1051    H    TYR  99           H        TYR  99   4.250  13.318  -7.411
 1052    HA   TYR  99           HA       TYR  99   2.717  13.439  -5.069
 1053   1HB   TYR  99          1HB       TYR  99   5.231  12.241  -5.918
 1054   2HB   TYR  99          2HB       TYR  99   5.278  12.758  -4.236
 1055    HD1  TYR  99           HD1      TYR  99   4.893  11.043  -2.783
 1056    HD2  TYR  99           HD2      TYR  99   2.697  11.137  -6.425
 1057    HE1  TYR  99           HE1      TYR  99   3.691   9.014  -2.104
 1058    HE2  TYR  99           HE2      TYR  99   1.487   9.107  -5.752
 1059    HH   TYR  99           HH       TYR  99   1.755   7.804  -2.541
 1060    H    LYS 100           H        LYS 100   5.886  14.922  -5.750
 1061    HA   LYS 100           HA       LYS 100   5.935  16.361  -3.304
 1062   1HB   LYS 100          1HB       LYS 100   7.799  17.659  -4.414
 1063   2HB   LYS 100          2HB       LYS 100   8.041  15.922  -4.289
 1064   1HG   LYS 100          1HG       LYS 100   7.464  15.645  -6.622
 1065   2HG   LYS 100          2HG       LYS 100   7.092  17.365  -6.757
 1066   1HD   LYS 100          1HD       LYS 100   9.296  16.885  -7.672
 1067   2HD   LYS 100          2HD       LYS 100   9.424  17.909  -6.242
 1068   1HE   LYS 100          1HE       LYS 100  11.135  16.210  -6.172
 1069   2HE   LYS 100          2HE       LYS 100   9.957  15.909  -4.897
 1070   1HZ   LYS 100          1HZ       LYS 100   9.034  14.125  -6.101
 1071   2HZ   LYS 100          2HZ       LYS 100  10.712  13.922  -6.220
 1072   3HZ   LYS 100          3HZ       LYS 100   9.843  14.551  -7.528
 1073    H    ARG 101           H        ARG 101   4.909  17.161  -6.566
 1074    HA   ARG 101           HA       ARG 101   4.721  19.946  -6.194
 1075   1HB   ARG 101          1HB       ARG 101   4.812  18.924  -8.403
 1076   2HB   ARG 101          2HB       ARG 101   3.275  18.119  -8.119
 1077   1HG   ARG 101          1HG       ARG 101   2.638  20.743  -7.701
 1078   2HG   ARG 101          2HG       ARG 101   3.837  20.840  -8.995
 1079   1HD   ARG 101          1HD       ARG 101   1.312  19.197  -8.978
 1080   2HD   ARG 101          2HD       ARG 101   1.636  20.628  -9.954
 1081    HE   ARG 101           HE       ARG 101   3.513  19.174 -10.931
 1082   1HH1  ARG 101          1HH1      ARG 101   0.535  17.833  -9.658
 1083   2HH1  ARG 101          2HH1      ARG 101   0.434  16.585 -10.866
 1084   1HH2  ARG 101          1HH2      ARG 101   3.418  17.487 -12.487
 1085   2HH2  ARG 101          2HH2      ARG 101   2.079  16.370 -12.455
 1086    H    ASP 102           H        ASP 102   2.165  17.450  -6.237
 1087    HA   ASP 102           HA       ASP 102   0.116  19.289  -5.560
 1088   1HB   ASP 102          1HB       ASP 102   0.264  16.300  -5.726
 1089   2HB   ASP 102          2HB       ASP 102  -1.152  17.073  -5.023
 1090    H    ARG 103           H        ARG 103   2.162  17.135  -3.646
 1091    HA   ARG 103           HA       ARG 103   0.775  17.508  -1.204
 1092   1HB   ARG 103          1HB       ARG 103   2.557  15.769  -1.606
 1093   2HB   ARG 103          2HB       ARG 103   3.752  17.057  -1.505
 1094   1HG   ARG 103          1HG       ARG 103   2.857  17.572   0.784
 1095   2HG   ARG 103          2HG       ARG 103   1.902  16.096   0.661
 1096   1HD   ARG 103          1HD       ARG 103   4.903  16.337   0.607
 1097   2HD   ARG 103          2HD       ARG 103   3.915  15.628   1.881
 1098    HE   ARG 103           HE       ARG 103   4.085  14.463  -0.821
 1099   1HH1  ARG 103          1HH1      ARG 103   4.028  14.148   2.667
 1100   2HH1  ARG 103          2HH1      ARG 103   4.292  12.427   2.648
 1101   1HH2  ARG 103          1HH2      ARG 103   4.443  12.190  -0.849
 1102   2HH2  ARG 103          2HH2      ARG 103   4.545  11.327   0.651
 1103    H    ALA 104           H        ALA 104   3.409  19.277  -2.778
 1104    HA   ALA 104           HA       ALA 104   3.901  21.109  -0.697
 1105   1HB   ALA 104          1HB       ALA 104   5.010  22.474  -2.377
 1106   2HB   ALA 104          2HB       ALA 104   4.269  21.521  -3.663
 1107   3HB   ALA 104          3HB       ALA 104   5.441  20.775  -2.575
 1108    H    LEU 105           H        LEU 105   1.569  21.080  -3.323
 1109    HA   LEU 105           HA       LEU 105   0.609  23.722  -2.920
 1110   1HB   LEU 105          1HB       LEU 105  -0.705  21.315  -4.176
 1111   2HB   LEU 105          2HB       LEU 105  -1.364  22.940  -4.225
 1112    HG   LEU 105           HG       LEU 105   1.235  22.036  -5.463
 1113   1HD1  LEU 105          1HD1      LEU 105  -1.365  22.921  -6.705
 1114   2HD1  LEU 105          2HD1      LEU 105  -0.732  21.275  -6.679
 1115   3HD1  LEU 105          3HD1      LEU 105   0.118  22.533  -7.577
 1116   1HD2  LEU 105          1HD2      LEU 105   1.376  24.297  -6.357
 1117   2HD2  LEU 105          2HD2      LEU 105   1.383  24.311  -4.593
 1118   3HD2  LEU 105          3HD2      LEU 105  -0.082  24.746  -5.472
 1119    H    LYS 106           H        LYS 106  -0.264  20.590  -1.622
 1120    HA   LYS 106           HA       LYS 106  -2.608  21.506  -0.261
 1121   1HB   LYS 106          1HB       LYS 106  -2.121  19.133  -0.996
 1122   2HB   LYS 106          2HB       LYS 106  -0.989  19.031   0.345
 1123   1HG   LYS 106          1HG       LYS 106  -2.751  19.320   1.938
 1124   2HG   LYS 106          2HG       LYS 106  -3.919  19.656   0.656
 1125   1HD   LYS 106          1HD       LYS 106  -4.272  17.403   1.279
 1126   2HD   LYS 106          2HD       LYS 106  -3.387  17.355  -0.247
 1127   1HE   LYS 106          1HE       LYS 106  -2.337  15.750   1.091
 1128   2HE   LYS 106          2HE       LYS 106  -1.281  17.160   1.177
 1129   1HZ   LYS 106          1HZ       LYS 106  -2.327  17.726   3.311
 1130   2HZ   LYS 106          2HZ       LYS 106  -1.580  16.201   3.350
 1131   3HZ   LYS 106          3HZ       LYS 106  -3.268  16.315   3.218
 1132    H    GLN 107           H        GLN 107   0.769  21.046   0.578
 1133    HA   GLN 107           HA       GLN 107   0.281  21.831   3.353
 1134   1HB   GLN 107          1HB       GLN 107   2.870  21.023   2.013
 1135   2HB   GLN 107          2HB       GLN 107   2.616  21.240   3.737
 1136   1HG   GLN 107          1HG       GLN 107   1.360  19.128   2.002
 1137   2HG   GLN 107          2HG       GLN 107   2.671  18.894   3.155
 1138   1HE2  GLN 107          1HE2      GLN 107   2.217  18.998   5.373
 1139   2HE2  GLN 107          2HE2      GLN 107   0.607  18.782   5.974
 1140    H    GLN 108           H        GLN 108   0.370  23.549   0.728
 1141    HA   GLN 108           HA       GLN 108   2.547  25.317   0.946
 1142   1HB   GLN 108          1HB       GLN 108   1.244  25.170  -1.096
 1143   2HB   GLN 108          2HB       GLN 108  -0.196  25.725  -0.259
 1144   1HG   GLN 108          1HG       GLN 108   0.800  27.476  -1.633
 1145   2HG   GLN 108          2HG       GLN 108   0.795  27.903   0.075
 1146   1HE2  GLN 108          1HE2      GLN 108   2.427  29.399  -0.198
 1147   2HE2  GLN 108          2HE2      GLN 108   4.074  28.932  -0.465
 1148    H    LYS 109           H        LYS 109  -0.834  26.203   1.593
 1149    HA   LYS 109           HA       LYS 109  -0.427  27.071   4.238
 1150   1HB   LYS 109          1HB       LYS 109   0.910  28.820   3.018
 1151   2HB   LYS 109          2HB       LYS 109  -0.572  29.305   2.208
 1152   1HG   LYS 109          1HG       LYS 109  -0.151  30.802   4.034
 1153   2HG   LYS 109          2HG       LYS 109  -1.562  29.814   4.423
 1154   1HD   LYS 109          1HD       LYS 109  -0.144  28.341   5.779
 1155   2HD   LYS 109          2HD       LYS 109   1.256  29.345   5.398
 1156   1HE   LYS 109          1HE       LYS 109   0.144  31.259   6.480
 1157   2HE   LYS 109          2HE       LYS 109  -1.211  30.213   6.902
 1158   1HZ   LYS 109          1HZ       LYS 109   1.588  30.005   7.868
 1159   2HZ   LYS 109          2HZ       LYS 109   0.420  28.807   8.127
 1160   3HZ   LYS 109          3HZ       LYS 109   0.203  30.356   8.786
 1161    H    LYS 110           H        LYS 110  -2.385  26.717   5.027
 1162    HA   LYS 110           HA       LYS 110  -4.708  26.798   3.315
 1163   1HB   LYS 110          1HB       LYS 110  -4.387  25.073   5.098
 1164   2HB   LYS 110          2HB       LYS 110  -4.562  26.343   6.301
 1165   1HG   LYS 110          1HG       LYS 110  -6.830  26.785   5.500
 1166   2HG   LYS 110          2HG       LYS 110  -6.652  25.500   4.307
 1167   1HD   LYS 110          1HD       LYS 110  -6.305  24.995   7.249
 1168   2HD   LYS 110          2HD       LYS 110  -7.889  24.948   6.479
 1169   1HE   LYS 110          1HE       LYS 110  -7.098  22.714   6.557
 1170   2HE   LYS 110          2HE       LYS 110  -6.952  23.245   4.885
 1171   1HZ   LYS 110          1HZ       LYS 110  -5.012  21.988   5.735
 1172   2HZ   LYS 110          2HZ       LYS 110  -4.700  23.251   6.822
 1173   3HZ   LYS 110          3HZ       LYS 110  -4.615  23.526   5.151
 1174    H    ALA 111           H        ALA 111  -4.671  29.011   2.752
 1175    HA   ALA 111           HA       ALA 111  -6.267  30.650   4.461
 1176   1HB   ALA 111          1HB       ALA 111  -4.073  31.068   5.475
 1177   2HB   ALA 111          2HB       ALA 111  -4.694  32.514   4.678
 1178   3HB   ALA 111          3HB       ALA 111  -3.437  31.551   3.902
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  30.246   2.739  -1.510
    2   2H5*    G   1          2H5*        G   1  29.571   1.192  -0.965
    3    H4*    G   1           H4*        G   1  29.425   3.222   0.582
    4    H3*    G   1           H3*        G   1  27.871   0.978   0.517
    5    H1*    G   1           H1*        G   1  26.440   4.526   0.740
    6    H8     G   1           H8         G   1  25.990   3.126  -2.855
    7    H1     G   1           H1         G   1  22.415   8.232  -1.329
    8   1H2     G   1          1H2         G   1  22.830   8.853   0.744
    9   2H2     G   1          2H2         G   1  23.990   8.019   1.752
   10    H5T    G   1           H5T        G   1  27.758   2.783  -2.272
   11   1H2*    G   1          1H2*        G   1  26.043   1.875  -0.739
   12   2H2*    G   1          2H2*        G   1  25.530   2.292   0.891
   13   1H5*    G   2          1H5*        G   2  26.445   5.081   2.823
   14   2H5*    G   2          2H5*        G   2  26.556   4.307   4.417
   15    H4*    G   2           H4*        G   2  24.949   5.976   4.657
   16    H3*    G   2           H3*        G   2  24.144   3.414   5.157
   17    H1*    G   2           H1*        G   2  22.001   5.981   3.292
   18    H8     G   2           H8         G   2  23.325   3.267   0.853
   19    H1     G   2           H1         G   2  18.847   7.229  -1.488
   20   1H2     G   2          1H2         G   2  18.295   8.730   0.033
   21   2H2     G   2          2H2         G   2  19.022   8.755   1.624
   22   1H2*    G   2          1H2*        G   2  22.907   3.060   3.138
   23   2H2*    G   2          2H2*        G   2  21.648   3.750   4.155
   24   1H5*    C   3          1H5*        C   3  21.809   7.156   6.145
   25   2H5*    C   3          2H5*        C   3  21.157   7.085   7.796
   26    H4*    C   3           H4*        C   3  19.930   8.702   6.529
   27    H3*    C   3           H3*        C   3  18.632   6.888   8.011
   28    H1*    C   3           H1*        C   3  17.547   7.423   4.321
   29   1H4     C   3          1H4         C   3  18.386   2.795   0.095
   30   2H4     C   3          2H4         C   3  19.647   2.049   1.053
   31    H5     C   3           H5         C   3  20.361   2.923   3.196
   32    H6     C   3           H6         C   3  20.017   4.686   4.846
   33   1H2*    C   3          1H2*        C   3  18.256   5.232   6.318
   34   2H2*    C   3          2H2*        C   3  16.770   6.163   6.193
   35   1H5*    T   4          1H5*        T   4  16.234   9.122   4.150
   36   2H5*    T   4          2H5*        T   4  15.781  10.171   5.510
   37    H4*    T   4           H4*        T   4  14.101  10.577   4.004
   38    H3*    T   4           H3*        T   4  13.201   9.486   6.255
   39   1H2*    T   4          1H2*        T   4  13.274   7.177   5.640
   40   2H2*    T   4          2H2*        T   4  11.620   7.566   5.185
   41    H1*    T   4           H1*        T   4  12.143   7.765   2.884
   42    H3     T   4           H3         T   4  13.677   4.061   0.886
   43   1H5M    T   4          1H5M        T   4  15.289   3.566   5.788
   44   2H5M    T   4          2H5M        T   4  16.246   2.863   4.464
   45   3H5M    T   4          3H5M        T   4  16.694   4.446   5.142
   46    H6     T   4           H6         T   4  14.629   6.166   5.060
   47   1H5*    C   5          1H5*        C   5  11.554   9.054   1.770
   48   2H5*    C   5          2H5*        C   5  10.448  10.362   2.240
   49    H4*    C   5           H4*        C   5   9.530   9.463   0.298
   50    H3*    C   5           H3*        C   5   7.925   9.477   2.424
   51    H1*    C   5           H1*        C   5   8.390   6.031   0.542
   52   1H4     C   5          1H4         C   5  12.045   1.697   3.364
   53   2H4     C   5          2H4         C   5  12.038   2.600   4.862
   54    H5     C   5           H5         C   5  10.988   4.775   5.082
   55    H6     C   5           H6         C   5   9.739   6.513   3.911
   56   1H2*    C   5          1H2*        C   5   8.322   7.291   3.291
   57   2H2*    C   5          2H2*        C   5   6.993   6.927   2.197
   58   1H5*    A   6          1H5*        A   6   6.820   7.565  -1.141
   59   2H5*    A   6          2H5*        A   6   5.419   8.080  -2.100
   60    H4*    A   6           H4*        A   6   5.583   5.942  -2.789
   61    H3*    A   6           H3*        A   6   3.473   6.232  -0.960
   62    H1*    A   6           H1*        A   6   5.862   3.225  -1.411
   63    H8     A   6           H8         A   6   6.386   5.046   1.988
   64   1H6     A   6          1H6         A   6   9.366  -0.102   3.688
   65   2H6     A   6          2H6         A   6   8.845   1.493   4.187
   66    H2     A   6           H2         A   6   7.923  -0.659  -0.528
   67   1H2*    A   6          1H2*        A   6   4.245   4.744   0.691
   68   2H2*    A   6          2H2*        A   6   3.696   3.518  -0.444
   69   1H5*    G   7          1H5*        G   7   5.590   2.444  -3.545
   70   2H5*    G   7          2H5*        G   7   4.132   2.637  -4.542
   71    H4*    G   7           H4*        G   7   5.160   0.442  -4.829
   72    H3*    G   7           H3*        G   7   2.507   0.816  -4.675
   73    H1*    G   7           H1*        G   7   4.173  -1.873  -2.336
   74    H8     G   7           H8         G   7   2.637   1.162  -0.595
   75    H1     G   7           H1         G   7   6.125  -2.678   3.191
   76   1H2     G   7          1H2         G   7   7.167  -4.192   1.971
   77   2H2     G   7          2H2         G   7   7.002  -4.253   0.230
   78   1H2*    G   7          1H2*        G   7   2.146   0.385  -2.363
   79   2H2*    G   7          2H2*        G   7   1.994  -1.255  -2.978
   80   1H5*    G   8          1H5*        G   8   4.316  -3.051  -3.743
   81   2H5*    G   8          2H5*        G   8   4.177  -3.782  -5.353
   82    H4*    G   8           H4*        G   8   4.582  -5.674  -4.255
   83    H3*    G   8           H3*        G   8   1.899  -5.568  -4.686
   84    H1*    G   8           H1*        G   8   3.364  -6.524  -1.171
   85    H8     G   8           H8         G   8   1.446  -3.190  -1.394
   86    H1     G   8           H1         G   8   3.800  -4.628   4.400
   87   1H2     G   8          1H2         G   8   5.031  -6.444   4.293
   88   2H2     G   8          2H2         G   8   5.289  -7.314   2.797
   89   1H2*    G   8          1H2*        G   8   1.155  -4.933  -2.526
   90   2H2*    G   8          2H2*        G   8   1.270  -6.667  -2.256
   91   1H5*    G   9          1H5*        G   9   4.004  -8.510  -2.657
   92   2H5*    G   9          2H5*        G   9   4.142 -10.143  -3.340
   93    H4*    G   9           H4*        G   9   4.735 -10.532  -1.180
   94    H3*    G   9           H3*        G   9   2.318 -11.632  -1.803
   95    H1*    G   9           H1*        G   9   3.007  -9.835   1.530
   96    H8     G   9           H8         G   9   0.905  -7.587  -0.844
   97    H1     G   9           H1         G   9   0.950  -5.923   5.361
   98   1H2     G   9          1H2         G   9   2.207  -7.339   6.506
   99   2H2     G   9          2H2         G   9   3.029  -8.681   5.742
  100   1H2*    G   9          1H2*        G   9   0.913 -10.058  -0.687
  101   2H2*    G   9          2H2*        G   9   1.221 -11.173   0.638
  102   1H5*    C  10          1H5*        C  10   4.038 -12.222   1.922
  103   2H5*    C  10          2H5*        C  10   4.668 -13.773   2.514
  104    H4*    C  10           H4*        C  10   4.122 -12.794   4.481
  105    H3*    C  10           H3*        C  10   2.242 -14.746   3.738
  106    H1*    C  10           H1*        C  10   1.596 -11.387   5.574
  107   1H4     C  10          1H4         C  10  -2.890  -7.571   3.228
  108   2H4     C  10          2H4         C  10  -2.787  -8.314   1.649
  109    H5     C  10           H5         C  10  -1.283 -10.139   1.147
  110    H6     C  10           H6         C  10   0.410 -11.636   2.062
  111   1H2*    C  10          1H2*        C  10   0.323 -13.390   3.656
  112   2H2*    C  10          2H2*        C  10   0.437 -13.455   5.410
  113   1H5*    C  11          1H5*        C  11   2.978 -13.790   7.984
  114   2H5*    C  11          2H5*        C  11   3.113 -15.088   9.190
  115    H4*    C  11           H4*        C  11   1.999 -13.368  10.280
  116    H3*    C  11           H3*        C  11   0.565 -15.747   9.856
  117    H1*    C  11           H1*        C  11  -0.888 -12.081   9.676
  118   1H4     C  11          1H4         C  11  -3.941 -10.812   4.263
  119   2H4     C  11          2H4         C  11  -3.351 -12.281   3.515
  120    H5     C  11           H5         C  11  -1.883 -13.834   4.646
  121    H6     C  11           H6         C  11  -0.689 -14.304   6.711
  122   1H2*    C  11          1H2*        C  11  -1.292 -14.922   8.705
  123   2H2*    C  11          2H2*        C  11  -1.730 -14.187  10.240
  124   1H5*    A  12          1H5*        A  12  -0.429 -12.879  12.702
  125   2H5*    A  12          2H5*        A  12  -0.773 -13.097  14.431
  126    H4*    A  12           H4*        A  12  -2.223 -11.425  13.830
  127    H3*    A  12           H3*        A  12  -3.448 -13.856  14.469
  128    H1*    A  12           H1*        A  12  -4.536 -11.245  11.923
  129    H8     A  12           H8         A  12  -3.283 -14.396  10.022
  130   1H6     A  12          1H6         A  12  -6.521 -12.151   5.243
  131   2H6     A  12          2H6         A  12  -5.459 -13.433   5.783
  132    H2     A  12           H2         A  12  -7.082  -9.386   8.732
  133   1H2*    A  12          1H2*        A  12  -4.393 -14.281  12.330
  134   2H2*    A  12          2H2*        A  12  -5.616 -13.173  12.940
  135   1H5*    C  13          1H5*        C  13  -5.650  -9.652  14.293
  136   2H5*    C  13          2H5*        C  13  -6.446  -9.638  15.881
  137    H4*    C  13           H4*        C  13  -7.635  -8.163  14.466
  138    H3*    C  13           H3*        C  13  -8.982 -10.118  15.775
  139    H1*    C  13           H1*        C  13  -9.667  -9.333  12.044
  140   1H4     C  13          1H4         C  13  -8.724 -13.839   7.700
  141   2H4     C  13          2H4         C  13  -7.625 -14.715   8.745
  142    H5     C  13           H5         C  13  -7.059 -13.973  10.978
  143    H6     C  13           H6         C  13  -7.431 -12.245  12.659
  144   1H2*    C  13          1H2*        C  13  -9.240 -11.661  13.972
  145   2H2*    C  13          2H2*        C  13 -10.685 -10.686  13.739
  146   1H5*    A  14          1H5*        A  14 -11.397  -7.717  12.363
  147   2H5*    A  14          2H5*        A  14 -12.040  -6.698  13.668
  148    H4*    A  14           H4*        A  14 -13.648  -6.368  12.113
  149    H3*    A  14           H3*        A  14 -14.651  -7.789  14.126
  150    H1*    A  14           H1*        A  14 -15.094  -9.281  10.492
  151    H8     A  14           H8         A  14 -12.244 -10.792  12.651
  152   1H6     A  14          1H6         A  14 -11.788 -14.987   8.109
  153   2H6     A  14          2H6         A  14 -11.191 -14.505   9.682
  154    H2     A  14           H2         A  14 -14.870 -11.953   6.913
  155   1H2*    A  14          1H2*        A  14 -14.283 -10.002  13.317
  156   2H2*    A  14          2H2*        A  14 -15.890  -9.714  12.661
  157   1H5*    G  15          1H5*        G  15 -16.284  -8.432   9.844
  158   2H5*    G  15          2H5*        G  15 -17.163  -6.946  10.262
  159    H4*    G  15           H4*        G  15 -18.383  -7.483   8.475
  160    H3*    G  15           H3*        G  15 -19.874  -8.091  10.581
  161    H1*    G  15           H1*        G  15 -19.166 -11.101   8.021
  162    H8     G  15           H8         G  15 -17.113 -10.760  11.286
  163    H1     G  15           H1         G  15 -15.927 -15.979   7.739
  164   1H2     G  15          1H2         G  15 -17.108 -15.909   5.872
  165   2H2     G  15          2H2         G  15 -18.194 -14.587   5.505
  166    H3T    G  15           H3T        G  15 -21.538  -8.540   9.066
  167   1H2*    G  15          1H2*        G  15 -19.350 -10.374  10.925
  168   2H2*    G  15          2H2*        G  15 -20.633 -10.595   9.743
  169   1H5*    C  16          1H5*        C  16 -17.013 -23.702   5.021
  170   2H5*    C  16          2H5*        C  16 -15.436 -23.941   4.250
  171    H4*    C  16           H4*        C  16 -17.052 -21.968   3.592
  172    H3*    C  16           H3*        C  16 -14.414 -22.469   3.013
  173    H1*    C  16           H1*        C  16 -15.753 -19.117   4.313
  174   1H4     C  16          1H4         C  16 -13.798 -16.642   9.804
  175   2H4     C  16          2H4         C  16 -12.715 -17.986  10.094
  176    H5     C  16           H5         C  16 -12.568 -19.899   8.619
  177    H6     C  16           H6         C  16 -13.415 -20.903   6.566
  178    H5T    C  16           H5T        C  16 -15.636 -22.306   6.527
  179   1H2*    C  16          1H2*        C  16 -13.432 -21.080   4.674
  180   2H2*    C  16          2H2*        C  16 -13.654 -19.886   3.404
  181   1H5*    T  17          1H5*        T  17 -17.769 -18.418   2.599
  182   2H5*    T  17          2H5*        T  17 -17.266 -18.462   0.896
  183    H4*    T  17           H4*        T  17 -18.093 -16.260   1.632
  184    H3*    T  17           H3*        T  17 -16.065 -16.616  -0.096
  185   1H2*    T  17          1H2*        T  17 -14.242 -16.509   1.451
  186   2H2*    T  17          2H2*        T  17 -14.358 -14.820   0.982
  187    H1*    T  17           H1*        T  17 -15.622 -14.223   2.928
  188    H3     T  17           H3         T  17 -13.277 -14.512   6.726
  189   1H5M    T  17          1H5M        T  17 -12.450 -19.189   4.936
  190   2H5M    T  17          2H5M        T  17 -10.999 -18.221   5.289
  191   3H5M    T  17          3H5M        T  17 -11.538 -18.438   3.607
  192    H6     T  17           H6         T  17 -13.745 -17.388   2.958
  193   1H5*    G  18          1H5*        G  18 -17.163 -11.581   1.252
  194   2H5*    G  18          2H5*        G  18 -16.497 -10.949  -0.269
  195    H4*    G  18           H4*        G  18 -16.086  -9.548   1.753
  196    H3*    G  18           H3*        G  18 -14.344  -9.979  -0.367
  197    H1*    G  18           H1*        G  18 -13.461  -9.691   3.317
  198    H8     G  18           H8         G  18 -12.729 -13.305   2.079
  199    H1     G  18           H1         G  18 -10.388 -11.719   7.846
  200   1H2     G  18          1H2         G  18 -11.015  -9.674   8.374
  201   2H2     G  18          2H2         G  18 -12.009  -8.699   7.314
  202   1H2*    G  18          1H2*        G  18 -12.758 -11.305   0.807
  203   2H2*    G  18          2H2*        G  18 -12.168  -9.711   1.256
  204   1H5*    T  19          1H5*        T  19 -13.194  -8.821   3.868
  205   2H5*    T  19          2H5*        T  19 -14.303  -7.657   3.109
  206    H4*    T  19           H4*        T  19 -13.935  -6.480   4.965
  207    H3*    T  19           H3*        T  19 -12.429  -5.394   3.016
  208   1H2*    T  19          1H2*        T  19 -10.249  -6.112   3.456
  209   2H2*    T  19          2H2*        T  19 -10.292  -4.966   4.791
  210    H1*    T  19           H1*        T  19 -10.439  -6.600   6.364
  211    H3     T  19           H3         T  19  -7.708 -10.109   6.202
  212   1H5M    T  19          1H5M        T  19  -9.054 -11.340   1.997
  213   2H5M    T  19          2H5M        T  19 -10.519 -10.372   1.710
  214   3H5M    T  19          3H5M        T  19  -8.921  -9.717   1.279
  215    H6     T  19           H6         T  19 -10.767  -8.238   3.059
  216   1H5*    G  20          1H5*        G  20 -11.444  -4.607   6.902
  217   2H5*    G  20          2H5*        G  20 -11.608  -2.957   7.536
  218    H4*    G  20           H4*        G  20  -9.853  -3.735   8.760
  219    H3*    G  20           H3*        G  20  -9.068  -1.894   6.773
  220    H1*    G  20           H1*        G  20  -7.167  -4.991   8.108
  221    H8     G  20           H8         G  20  -8.175  -5.272   4.366
  222    H1     G  20           H1         G  20  -3.911  -9.582   6.484
  223   1H2     G  20          1H2         G  20  -3.482  -9.232   8.620
  224   2H2     G  20          2H2         G  20  -4.245  -7.943   9.526
  225   1H2*    G  20          1H2*        G  20  -7.547  -3.263   5.616
  226   2H2*    G  20          2H2*        G  20  -6.517  -2.969   7.010
  227   1H5*    G  21          1H5*        G  21  -7.304  -2.632  10.572
  228   2H5*    G  21          2H5*        G  21  -6.848  -1.326  11.685
  229    H4*    G  21           H4*        G  21  -5.509  -3.107  12.311
  230    H3*    G  21           H3*        G  21  -4.201  -0.882  11.449
  231    H1*    G  21           H1*        G  21  -3.123  -4.440  10.438
  232    H8     G  21           H8         G  21  -5.049  -2.701   7.550
  233    H1     G  21           H1         G  21  -1.495  -7.790   5.907
  234   1H2     G  21          1H2         G  21  -0.493  -8.619   7.687
  235   2H2     G  21          2H2         G  21  -0.694  -7.924   9.280
  236   1H2*    G  21          1H2*        G  21  -3.595  -1.653   9.272
  237   2H2*    G  21          2H2*        G  21  -2.210  -2.230  10.190
  238   1H5*    C  22          1H5*        C  22  -2.201  -5.418  11.838
  239   2H5*    C  22          2H5*        C  22  -1.787  -4.752  13.433
  240    H4*    C  22           H4*        C  22  -0.299  -6.511  13.145
  241    H3*    C  22           H3*        C  22   0.863  -4.173  13.565
  242    H1*    C  22           H1*        C  22   1.956  -6.048  10.230
  243   1H4     C  22          1H4         C  22  -0.600  -3.864   4.874
  244   2H4     C  22          2H4         C  22  -1.414  -2.565   5.716
  245    H5     C  22           H5         C  22  -1.341  -2.316   8.123
  246    H6     C  22           H6         C  22  -0.460  -3.245  10.197
  247   1H2*    C  22          1H2*        C  22   1.089  -3.376  11.325
  248   2H2*    C  22          2H2*        C  22   2.632  -4.203  11.495
  249   1H5*    C  23          1H5*        C  23   3.121  -7.228  11.865
  250   2H5*    C  23          2H5*        C  23   4.507  -7.967  12.693
  251    H4*    C  23           H4*        C  23   5.115  -8.329  10.550
  252    H3*    C  23           H3*        C  23   6.554  -6.182  11.649
  253    H1*    C  23           H1*        C  23   5.302  -6.635   8.029
  254   1H4     C  23          1H4         C  23   1.934  -2.005   5.309
  255   2H4     C  23          2H4         C  23   1.585  -1.256   6.850
  256    H5     C  23           H5         C  23   2.395  -2.144   8.958
  257    H6     C  23           H6         C  23   3.686  -3.932  10.003
  258   1H2*    C  23          1H2*        C  23   5.842  -4.501  10.153
  259   2H2*    C  23          2H2*        C  23   6.989  -5.280   9.072
  260   1H5*    C  24          1H5*        C  24   8.161  -9.027   8.428
  261   2H5*    C  24          2H5*        C  24   9.896  -9.335   8.647
  262    H4*    C  24           H4*        C  24   9.334  -9.662   6.357
  263    H3*    C  24           H3*        C  24  11.435  -8.089   7.041
  264    H1*    C  24           H1*        C  24   8.908  -7.031   4.314
  265   1H4     C  24          1H4         C  24   5.487  -1.753   5.052
  266   2H4     C  24          2H4         C  24   5.648  -1.809   6.793
  267    H5     C  24           H5         C  24   6.897  -3.535   7.945
  268    H6     C  24           H6         C  24   8.240  -5.551   7.662
  269   1H2*    C  24          1H2*        C  24  10.397  -5.957   6.755
  270   2H2*    C  24          2H2*        C  24  11.011  -6.214   5.128
  271   1H5*    T  25          1H5*        T  25   9.884  -8.869   2.068
  272   2H5*    T  25          2H5*        T  25  11.581  -9.325   1.807
  273    H4*    T  25           H4*        T  25  10.447  -8.451  -0.209
  274    H3*    T  25           H3*        T  25  13.028  -8.016   0.409
  275   1H2*    T  25          1H2*        T  25  12.824  -5.903   1.507
  276   2H2*    T  25          2H2*        T  25  13.055  -5.357  -0.148
  277    H1*    T  25           H1*        T  25  10.738  -4.987  -0.512
  278    H3     T  25           H3         T  25   9.082  -1.644   1.932
  279   1H5M    T  25          1H5M        T  25  10.726  -4.153   5.808
  280   2H5M    T  25          2H5M        T  25  12.315  -4.554   5.114
  281   3H5M    T  25          3H5M        T  25  11.902  -2.860   5.473
  282    H6     T  25           H6         T  25  11.793  -5.423   2.996
  283   1H5*    G  26          1H5*        G  26  11.364  -6.267  -3.018
  284   2H5*    G  26          2H5*        G  26  11.824  -6.683  -4.682
  285    H4*    G  26           H4*        G  26  11.222  -4.562  -5.067
  286    H3*    G  26           H3*        G  26  14.023  -4.666  -4.768
  287    H1*    G  26           H1*        G  26  11.568  -1.889  -3.656
  288    H8     G  26           H8         G  26  13.239  -3.724  -0.668
  289    H1     G  26           H1         G  26  10.617   1.991   0.629
  290   1H2     G  26          1H2         G  26   9.739   2.853  -1.200
  291   2H2     G  26          2H2         G  26   9.800   2.026  -2.742
  292   1H2*    G  26          1H2*        G  26  14.227  -3.208  -2.932
  293   2H2*    G  26          2H2*        G  26  13.908  -1.965  -4.133
  294   1H5*    A  27          1H5*        A  27  11.545  -1.528  -6.789
  295   2H5*    A  27          2H5*        A  27  12.182  -1.313  -8.434
  296    H4*    A  27           H4*        A  27  10.889   0.581  -7.978
  297    H3*    A  27           H3*        A  27  13.422   0.990  -8.746
  298    H1*    A  27           H1*        A  27  12.097   2.855  -5.538
  299    H8     A  27           H8         A  27  14.096  -0.402  -4.813
  300   1H6     A  27          1H6         A  27  14.637   1.839   0.929
  301   2H6     A  27          2H6         A  27  15.035   0.511  -0.139
  302    H2     A  27           H2         A  27  12.257   4.775  -1.489
  303   1H2*    A  27          1H2*        A  27  14.464   1.301  -6.626
  304   2H2*    A  27          2H2*        A  27  13.982   2.961  -6.947
  305   1H5*    G  28          1H5*        G  28  11.604   4.190  -5.944
  306   2H5*    G  28          2H5*        G  28  10.865   4.887  -7.403
  307    H4*    G  28           H4*        G  28  10.826   6.750  -6.155
  308    H3*    G  28           H3*        G  28  12.779   7.050  -7.931
  309    H1*    G  28           H1*        G  28  13.702   7.601  -4.160
  310    H8     G  28           H8         G  28  14.775   4.191  -5.639
  311    H1     G  28           H1         G  28  16.674   5.384   0.377
  312   1H2     G  28          1H2         G  28  15.826   7.300   1.070
  313   2H2     G  28          2H2         G  28  14.794   8.283   0.056
  314   1H2*    G  28          1H2*        G  28  14.601   6.144  -6.669
  315   2H2*    G  28          2H2*        G  28  14.757   7.848  -6.271
  316   1H5*    C  29          1H5*        C  29  11.943  10.970  -5.063
  317   2H5*    C  29          2H5*        C  29  12.885  12.364  -5.630
  318    H4*    C  29           H4*        C  29  12.659  11.928  -3.105
  319    H3*    C  29           H3*        C  29  14.486  13.411  -4.404
  320    H1*    C  29           H1*        C  29  15.612  10.670  -1.932
  321   1H4     C  29          1H4         C  29  18.898   5.655  -3.935
  322   2H4     C  29          2H4         C  29  18.285   5.811  -5.564
  323    H5     C  29           H5         C  29  16.758   7.569  -6.233
  324    H6     C  29           H6         C  29  15.512   9.523  -5.472
  325   1H2*    C  29          1H2*        C  29  16.137  11.700  -4.758
  326   2H2*    C  29          2H2*        C  29  16.686  12.376  -3.231
  327   1H5*    C  30          1H5*        C  30  15.934  11.990   0.072
  328   2H5*    C  30          2H5*        C  30  15.864  13.641   0.719
  329    H4*    C  30           H4*        C  30  17.570  12.664   1.928
  330    H3*    C  30           H3*        C  30  18.333  14.777   0.445
  331    H1*    C  30           H1*        C  30  20.430  11.591   0.524
  332   1H4     C  30          1H4         C  30  21.248   7.811  -4.462
  333   2H4     C  30          2H4         C  30  20.030   8.647  -5.401
  334    H5     C  30           H5         C  30  18.759  10.521  -4.525
  335    H6     C  30           H6         C  30  18.400  11.948  -2.578
  336    H3T    C  30           H3T        C  30  19.055  14.108   2.574
  337   1H2*    C  30          1H2*        C  30  19.138  13.536  -1.459
  338   2H2*    C  30          2H2*        C  30  20.617  13.769  -0.537
  339   1H    ASP  10          1H        ASP  10  -4.278  11.948  10.412
  340    HA   ASP  10           HA       ASP  10  -6.474  11.844  10.933
  341   1HB   ASP  10          1HB       ASP  10  -5.988  14.786  11.280
  342   2HB   ASP  10          2HB       ASP  10  -7.605  14.117  11.470
  343    H    GLU  11           H        GLU  11  -5.442  12.568   8.111
  344    HA   GLU  11           HA       GLU  11  -7.708  13.701   6.798
  345   1HB   GLU  11          1HB       GLU  11  -5.340  12.123   5.787
  346   2HB   GLU  11          2HB       GLU  11  -6.590  12.748   4.729
  347   1HG   GLU  11          1HG       GLU  11  -4.879  14.433   6.527
  348   2HG   GLU  11          2HG       GLU  11  -4.596  14.156   4.809
  349    H    LEU  12           H        LEU  12  -9.106  12.536   5.316
  350    HA   LEU  12           HA       LEU  12  -9.659   9.832   6.335
  351   1HB   LEU  12          1HB       LEU  12 -11.605  11.836   5.190
  352   2HB   LEU  12          2HB       LEU  12 -12.008  10.233   5.769
  353    HG   LEU  12           HG       LEU  12 -10.912  12.464   7.483
  354   1HD1  LEU  12          1HD1      LEU  12 -13.158  12.546   8.436
  355   2HD1  LEU  12          2HD1      LEU  12 -13.700  11.344   7.265
  356   3HD1  LEU  12          3HD1      LEU  12 -13.172  12.934   6.717
  357   1HD2  LEU  12          1HD2      LEU  12 -11.480  10.992   9.352
  358   2HD2  LEU  12          2HD2      LEU  12 -10.281  10.250   8.293
  359   3HD2  LEU  12          3HD2      LEU  12 -11.964   9.733   8.217
  360    H    CYS  13           H        CYS  13 -10.080   8.214   4.943
  361    HA   CYS  13           HA       CYS  13  -9.165   8.381   2.257
  362   1HB   CYS  13          1HB       CYS  13  -9.127   6.329   3.735
  363   2HB   CYS  13          2HB       CYS  13 -10.871   6.222   3.531
  364    HG   CYS  13           HG       CYS  13  -8.991   6.281   0.720
  365    HA   PRO  14           HA       PRO  14 -12.874  10.505   1.084
  366   1HB   PRO  14          1HB       PRO  14 -12.271  10.887  -1.531
  367   2HB   PRO  14          2HB       PRO  14 -11.507  11.794  -0.221
  368   1HG   PRO  14          1HG       PRO  14 -10.491   9.400  -1.708
  369   2HG   PRO  14          2HG       PRO  14  -9.631  10.889  -1.269
  370   1HD   PRO  14          1HD       PRO  14  -9.364   8.610   0.144
  371   2HD   PRO  14          2HD       PRO  14  -9.311  10.209   0.914
  372    H    VAL  15           H        VAL  15 -12.448   7.362   0.522
  373    HA   VAL  15           HA       VAL  15 -14.735   7.213  -1.314
  374    HB   VAL  15           HB       VAL  15 -12.910   6.083  -2.299
  375   1HG1  VAL  15          1HG1      VAL  15 -11.626   5.748  -0.165
  376   2HG1  VAL  15          2HG1      VAL  15 -11.516   4.479  -1.380
  377   3HG1  VAL  15          3HG1      VAL  15 -12.555   4.258   0.023
  378   1HG2  VAL  15          1HG2      VAL  15 -14.760   4.050  -1.101
  379   2HG2  VAL  15          2HG2      VAL  15 -13.729   3.784  -2.507
  380   3HG2  VAL  15          3HG2      VAL  15 -15.032   4.970  -2.582
  381    H    CYS  16           H        CYS  16 -13.314   5.345   1.317
  382    HA   CYS  16           HA       CYS  16 -15.943   4.297   1.997
  383   1HB   CYS  16          1HB       CYS  16 -14.657   2.811   3.535
  384   2HB   CYS  16          2HB       CYS  16 -14.184   2.680   1.843
  385    HG   CYS  16           HG       CYS  16 -12.373   3.448   4.485
  386    H    GLY  17           H        GLY  17 -13.749   6.684   3.176
  387   1HA   GLY  17          1HA       GLY  17 -14.251   8.308   4.768
  388   2HA   GLY  17          2HA       GLY  17 -15.638   7.359   5.270
  389    H    ASP  18           H        ASP  18 -12.530   5.832   5.060
  390    HA   ASP  18           HA       ASP  18 -12.417   5.657   7.982
  391   1HB   ASP  18          1HB       ASP  18 -10.877   4.192   5.826
  392   2HB   ASP  18          2HB       ASP  18 -10.565   4.004   7.547
  393    H    LYS  19           H        LYS  19 -10.313   5.989   9.052
  394    HA   LYS  19           HA       LYS  19  -9.045   8.393   8.171
  395   1HB   LYS  19          1HB       LYS  19  -8.246   6.441  10.338
  396   2HB   LYS  19          2HB       LYS  19  -7.535   8.031  10.100
  397   1HG   LYS  19          1HG       LYS  19  -9.649   9.094  10.591
  398   2HG   LYS  19          2HG       LYS  19 -10.436   7.520  10.727
  399   1HD   LYS  19          1HD       LYS  19  -9.949   8.377  12.933
  400   2HD   LYS  19          2HD       LYS  19  -8.936   6.970  12.609
  401   1HE   LYS  19          1HE       LYS  19  -7.128   8.582  11.910
  402   2HE   LYS  19          2HE       LYS  19  -8.142   9.873  12.553
  403   1HZ   LYS  19          1HZ       LYS  19  -6.589   9.228  14.223
  404   2HZ   LYS  19          2HZ       LYS  19  -6.990   7.587  14.054
  405   3HZ   LYS  19          3HZ       LYS  19  -8.118   8.673  14.706
  406    H    VAL  20           H        VAL  20  -7.060   8.697   7.226
  407    HA   VAL  20           HA       VAL  20  -6.184   6.565   5.533
  408    HB   VAL  20           HB       VAL  20  -4.565   8.134   4.634
  409   1HG1  VAL  20          1HG1      VAL  20  -7.243   9.419   5.139
  410   2HG1  VAL  20          2HG1      VAL  20  -6.854   8.283   3.847
  411   3HG1  VAL  20          3HG1      VAL  20  -6.103   9.878   3.874
  412   1HG2  VAL  20          1HG2      VAL  20  -5.421   9.984   6.860
  413   2HG2  VAL  20          2HG2      VAL  20  -4.353  10.408   5.521
  414   3HG2  VAL  20          3HG2      VAL  20  -3.848   9.202   6.705
  415    H    SER  21           H        SER  21  -4.137   5.604   5.419
  416    HA   SER  21           HA       SER  21  -2.650   5.636   7.954
  417   1HB   SER  21          1HB       SER  21  -3.636   3.445   7.249
  418   2HB   SER  21          2HB       SER  21  -2.624   3.497   5.807
  419    HG   SER  21           HG       SER  21  -0.857   3.793   7.501
  420    H    GLY  22           H        GLY  22  -2.540   6.599   4.706
  421   1HA   GLY  22          1HA       GLY  22  -0.251   7.997   4.701
  422   2HA   GLY  22          2HA       GLY  22   0.336   6.364   4.431
  423    H    TYR  23           H        TYR  23   1.057   7.777   2.493
  424    HA   TYR  23           HA       TYR  23  -0.918   8.258   0.463
  425   1HB   TYR  23          1HB       TYR  23   2.103   8.298   0.318
  426   2HB   TYR  23          2HB       TYR  23   1.019   8.866  -0.945
  427    HD1  TYR  23           HD1      TYR  23   2.289   9.535   2.445
  428    HD2  TYR  23           HD2      TYR  23  -0.026  11.008  -0.806
  429    HE1  TYR  23           HE1      TYR  23   2.296  11.771   3.463
  430    HE2  TYR  23           HE2      TYR  23  -0.025  13.251   0.204
  431    HH   TYR  23           HH       TYR  23   0.281  14.312   2.334
  432    H    HIS  24           H        HIS  24  -1.731   6.745  -0.802
  433    HA   HIS  24           HA       HIS  24   0.062   4.667  -1.842
  434   1HB   HIS  24          1HB       HIS  24  -2.771   4.133  -0.908
  435   2HB   HIS  24          2HB       HIS  24  -1.698   2.968  -1.667
  436    HD1  HIS  24           HD1      HIS  24   0.824   3.203  -0.037
  437    HD2  HIS  24           HD2      HIS  24  -2.968   3.359   1.655
  438    HE1  HIS  24           HE1      HIS  24   1.121   2.493   2.356
  439    HE2  HIS  24           HE2      HIS  24  -1.227   2.322   3.268
  440    H    TYR  25           H        TYR  25   0.113   4.918  -3.961
  441    HA   TYR  25           HA       TYR  25  -0.521   5.111  -6.126
  442   1HB   TYR  25          1HB       TYR  25  -3.375   4.881  -5.149
  443   2HB   TYR  25          2HB       TYR  25  -2.793   4.601  -6.788
  444    HD1  TYR  25           HD1      TYR  25  -3.777   3.033  -3.839
  445    HD2  TYR  25           HD2      TYR  25  -0.843   2.764  -6.907
  446    HE1  TYR  25           HE1      TYR  25  -3.420   0.666  -3.281
  447    HE2  TYR  25           HE2      TYR  25  -0.482   0.397  -6.361
  448    HH   TYR  25           HH       TYR  25  -0.789  -1.146  -4.595
  449    H    GLY  26           H        GLY  26  -0.277   7.410  -4.332
  450   1HA   GLY  26          1HA       GLY  26  -0.165   9.660  -5.077
  451   2HA   GLY  26          2HA       GLY  26  -1.549   9.357  -6.116
  452    H    LEU  27           H        LEU  27  -2.859   7.980  -3.750
  453    HA   LEU  27           HA       LEU  27  -3.852  10.464  -2.520
  454   1HB   LEU  27          1HB       LEU  27  -5.181   8.002  -3.503
  455   2HB   LEU  27          2HB       LEU  27  -5.856   8.759  -2.073
  456    HG   LEU  27           HG       LEU  27  -5.389  10.284  -4.624
  457   1HD1  LEU  27          1HD1      LEU  27  -7.881   8.851  -3.715
  458   2HD1  LEU  27          2HD1      LEU  27  -6.877   8.408  -5.096
  459   3HD1  LEU  27          3HD1      LEU  27  -7.761   9.934  -5.102
  460   1HD2  LEU  27          1HD2      LEU  27  -5.654  11.640  -2.641
  461   2HD2  LEU  27          2HD2      LEU  27  -7.102  10.739  -2.187
  462   3HD2  LEU  27          3HD2      LEU  27  -7.110  11.752  -3.634
  463    H    LEU  28           H        LEU  28  -4.239  10.540  -0.328
  464    HA   LEU  28           HA       LEU  28  -2.939   8.603   1.330
  465   1HB   LEU  28          1HB       LEU  28  -4.808  10.865   2.052
  466   2HB   LEU  28          2HB       LEU  28  -3.963   9.865   3.218
  467    HG   LEU  28           HG       LEU  28  -1.854  10.708   1.823
  468   1HD1  LEU  28          1HD1      LEU  28  -3.161  12.005   0.233
  469   2HD1  LEU  28          2HD1      LEU  28  -2.125  13.051   1.206
  470   3HD1  LEU  28          3HD1      LEU  28  -3.851  12.949   1.555
  471   1HD2  LEU  28          1HD2      LEU  28  -1.557  12.429   3.535
  472   2HD2  LEU  28          2HD2      LEU  28  -2.159  10.917   4.221
  473   3HD2  LEU  28          3HD2      LEU  28  -3.259  12.276   3.978
  474    H    THR  29           H        THR  29  -3.753   6.701   1.772
  475    HA   THR  29           HA       THR  29  -6.659   6.395   1.968
  476    HB   THR  29           HB       THR  29  -6.403   4.219   0.677
  477    HG1  THR  29           HG1      THR  29  -4.230   5.244  -0.684
  478   1HG2  THR  29          1HG2      THR  29  -5.895   6.819  -0.790
  479   2HG2  THR  29          2HG2      THR  29  -7.471   6.184  -0.314
  480   3HG2  THR  29          3HG2      THR  29  -6.506   5.333  -1.521
  481    H    CYS  30           H        CYS  30  -7.237   4.241   2.883
  482    HA   CYS  30           HA       CYS  30  -5.443   3.599   5.081
  483   1HB   CYS  30          1HB       CYS  30  -7.470   2.173   5.772
  484   2HB   CYS  30          2HB       CYS  30  -7.665   3.923   5.803
  485    HG   CYS  30           HG       CYS  30 -10.040   2.859   4.857
  486    H    GLU  31           H        GLU  31  -4.936   1.361   5.581
  487    HA   GLU  31           HA       GLU  31  -3.965  -0.120   3.421
  488   1HB   GLU  31          1HB       GLU  31  -4.644  -1.096   6.203
  489   2HB   GLU  31          2HB       GLU  31  -3.612  -1.930   5.050
  490   1HG   GLU  31          1HG       GLU  31  -3.072   0.749   6.314
  491   2HG   GLU  31          2HG       GLU  31  -2.283  -0.778   6.710
  492    H    SER  32           H        SER  32  -7.026  -0.119   5.036
  493    HA   SER  32           HA       SER  32  -8.263  -2.417   4.208
  494   1HB   SER  32          1HB       SER  32  -9.707   0.199   4.005
  495   2HB   SER  32          2HB       SER  32 -10.242  -1.320   4.726
  496    HG   SER  32           HG       SER  32  -9.768  -0.131   6.465
  497    H    CYS  33           H        CYS  33  -8.142   0.681   2.444
  498    HA   CYS  33           HA       CYS  33  -9.402  -0.478   0.135
  499   1HB   CYS  33          1HB       CYS  33  -8.218   2.258   0.615
  500   2HB   CYS  33          2HB       CYS  33  -9.030   1.780  -0.874
  501    HG   CYS  33           HG       CYS  33 -10.422   3.240   1.509
  502    H    LYS  34           H        LYS  34  -6.127   0.400   1.098
  503    HA   LYS  34           HA       LYS  34  -4.804   0.060  -1.323
  504   1HB   LYS  34          1HB       LYS  34  -3.736   0.745   0.838
  505   2HB   LYS  34          2HB       LYS  34  -3.821  -0.932   1.361
  506   1HG   LYS  34          1HG       LYS  34  -2.484  -1.468  -0.752
  507   2HG   LYS  34          2HG       LYS  34  -2.163   0.265  -0.830
  508   1HD   LYS  34          1HD       LYS  34  -0.331  -0.739   0.311
  509   2HD   LYS  34          2HD       LYS  34  -1.294   0.109   1.522
  510   1HE   LYS  34          1HE       LYS  34  -2.352  -1.993   2.164
  511   2HE   LYS  34          2HE       LYS  34  -1.431  -2.847   0.929
  512   1HZ   LYS  34          1HZ       LYS  34  -0.359  -3.164   3.008
  513   2HZ   LYS  34          2HZ       LYS  34  -0.372  -1.506   3.361
  514   3HZ   LYS  34          3HZ       LYS  34   0.611  -2.105   2.112
  515    H    GLY  35           H        GLY  35  -5.607  -2.411   1.116
  516   1HA   GLY  35          1HA       GLY  35  -4.618  -4.615  -0.348
  517   2HA   GLY  35          2HA       GLY  35  -5.777  -4.693   0.972
  518    H    PHE  36           H        PHE  36  -7.917  -3.322  -0.025
  519    HA   PHE  36           HA       PHE  36  -9.193  -5.242  -1.618
  520   1HB   PHE  36          1HB       PHE  36 -10.452  -3.733  -0.186
  521   2HB   PHE  36          2HB       PHE  36  -9.922  -2.346  -1.131
  522    HD1  PHE  36           HD1      PHE  36 -11.874  -5.494  -1.357
  523    HD2  PHE  36           HD2      PHE  36 -11.170  -1.613  -2.956
  524    HE1  PHE  36           HE1      PHE  36 -13.848  -5.736  -2.805
  525    HE2  PHE  36           HE2      PHE  36 -13.144  -1.848  -4.405
  526    HZ   PHE  36           HZ       PHE  36 -14.486  -3.912  -4.329
  527    H    PHE  37           H        PHE  37  -7.700  -2.151  -2.487
  528    HA   PHE  37           HA       PHE  37  -8.507  -2.096  -5.171
  529   1HB   PHE  37          1HB       PHE  37  -7.358  -0.263  -3.724
  530   2HB   PHE  37          2HB       PHE  37  -5.857  -1.000  -4.274
  531    HD1  PHE  37           HD1      PHE  37  -9.033   0.451  -5.527
  532    HD2  PHE  37           HD2      PHE  37  -4.927  -0.351  -6.309
  533    HE1  PHE  37           HE1      PHE  37  -9.172   1.785  -7.586
  534    HE2  PHE  37           HE2      PHE  37  -5.060   0.983  -8.375
  535    HZ   PHE  37           HZ       PHE  37  -7.189   2.056  -9.014
  536    H    LYS  38           H        LYS  38  -5.499  -3.312  -3.683
  537    HA   LYS  38           HA       LYS  38  -4.289  -4.231  -6.029
  538   1HB   LYS  38          1HB       LYS  38  -4.076  -5.441  -3.268
  539   2HB   LYS  38          2HB       LYS  38  -2.986  -5.759  -4.608
  540   1HG   LYS  38          1HG       LYS  38  -2.534  -3.240  -4.585
  541   2HG   LYS  38          2HG       LYS  38  -3.303  -3.257  -2.998
  542   1HD   LYS  38          1HD       LYS  38  -0.809  -4.711  -3.865
  543   2HD   LYS  38          2HD       LYS  38  -0.954  -3.448  -2.647
  544   1HE   LYS  38          1HE       LYS  38  -0.802  -5.331  -1.330
  545   2HE   LYS  38          2HE       LYS  38  -2.550  -5.158  -1.479
  546   1HZ   LYS  38          1HZ       LYS  38  -2.519  -6.808  -3.255
  547   2HZ   LYS  38          2HZ       LYS  38  -1.858  -7.451  -1.834
  548   3HZ   LYS  38          3HZ       LYS  38  -0.843  -6.974  -3.103
  549    H    ARG  39           H        ARG  39  -6.466  -5.933  -3.784
  550    HA   ARG  39           HA       ARG  39  -6.414  -8.446  -4.966
  551   1HB   ARG  39          1HB       ARG  39  -8.666  -7.007  -3.569
  552   2HB   ARG  39          2HB       ARG  39  -8.782  -8.681  -4.092
  553   1HG   ARG  39          1HG       ARG  39  -6.786  -7.576  -2.137
  554   2HG   ARG  39          2HG       ARG  39  -8.218  -8.524  -1.734
  555   1HD   ARG  39          1HD       ARG  39  -5.776  -9.411  -3.258
  556   2HD   ARG  39          2HD       ARG  39  -6.328  -9.982  -1.685
  557    HE   ARG  39           HE       ARG  39  -8.371 -10.534  -3.463
  558   1HH1  ARG  39          1HH1      ARG  39  -5.024 -11.443  -3.003
  559   2HH1  ARG  39          2HH1      ARG  39  -5.191 -12.974  -3.816
  560   1HH2  ARG  39          1HH2      ARG  39  -8.605 -12.540  -4.541
  561   2HH2  ARG  39          2HH2      ARG  39  -7.218 -13.581  -4.718
  562    H    THR  40           H        THR  40  -8.373  -5.633  -5.752
  563    HA   THR  40           HA       THR  40  -9.934  -6.912  -7.743
  564    HB   THR  40           HB       THR  40  -9.393  -3.960  -7.382
  565    HG1  THR  40           HG1      THR  40 -10.295  -4.607  -5.492
  566   1HG2  THR  40          1HG2      THR  40 -10.405  -4.486  -9.539
  567   2HG2  THR  40          2HG2      THR  40 -11.574  -3.686  -8.490
  568   3HG2  THR  40          3HG2      THR  40 -11.660  -5.430  -8.736
  569    H    VAL  41           H        VAL  41  -7.225  -4.568  -8.015
  570    HA   VAL  41           HA       VAL  41  -7.293  -4.612 -10.848
  571    HB   VAL  41           HB       VAL  41  -5.121  -3.392 -10.724
  572   1HG1  VAL  41          1HG1      VAL  41  -7.373  -2.344  -9.014
  573   2HG1  VAL  41          2HG1      VAL  41  -7.242  -2.202 -10.766
  574   3HG1  VAL  41          3HG1      VAL  41  -6.089  -1.368  -9.726
  575   1HG2  VAL  41          1HG2      VAL  41  -5.549  -3.662  -7.761
  576   2HG2  VAL  41          2HG2      VAL  41  -4.366  -2.608  -8.533
  577   3HG2  VAL  41          3HG2      VAL  41  -4.228  -4.357  -8.698
  578    H    GLN  42           H        GLN  42  -5.175  -6.225  -8.508
  579    HA   GLN  42           HA       GLN  42  -3.311  -7.204 -10.359
  580   1HB   GLN  42          1HB       GLN  42  -4.126  -8.166  -7.632
  581   2HB   GLN  42          2HB       GLN  42  -2.900  -8.997  -8.577
  582   1HG   GLN  42          1HG       GLN  42  -1.637  -6.850  -8.693
  583   2HG   GLN  42          2HG       GLN  42  -2.819  -6.159  -7.582
  584   1HE2  GLN  42          1HE2      GLN  42  -0.233  -8.446  -7.959
  585   2HE2  GLN  42          2HE2      GLN  42   0.075  -8.697  -6.278
  586    H    ASN  43           H        ASN  43  -6.376  -8.590  -9.244
  587    HA   ASN  43           HA       ASN  43  -5.858 -10.963 -10.868
  588   1HB   ASN  43          1HB       ASN  43  -8.126 -10.329  -8.969
  589   2HB   ASN  43          2HB       ASN  43  -7.951 -11.842  -9.851
  590   1HD2  ASN  43          1HD2      ASN  43  -6.846  -9.915  -7.212
  591   2HD2  ASN  43          2HD2      ASN  43  -5.831 -11.115  -6.487
  592    H    ASN  44           H        ASN  44  -7.043  -7.954 -11.329
  593    HA   ASN  44           HA       ASN  44  -8.349  -6.922 -12.865
  594   1HB   ASN  44          1HB       ASN  44  -7.848  -9.540 -14.278
  595   2HB   ASN  44          2HB       ASN  44  -8.780  -8.244 -15.018
  596   1HD2  ASN  44          1HD2      ASN  44  -5.653  -9.252 -13.925
  597   2HD2  ASN  44          2HD2      ASN  44  -4.747  -7.996 -14.692
  598    H    LYS  45           H        LYS  45  -9.572  -8.024 -10.708
  599    HA   LYS  45           HA       LYS  45 -11.770  -9.710 -11.292
  600   1HB   LYS  45          1HB       LYS  45 -11.062  -7.944  -8.962
  601   2HB   LYS  45          2HB       LYS  45 -12.534  -8.888  -9.002
  602   1HG   LYS  45          1HG       LYS  45 -11.227 -10.938  -9.216
  603   2HG   LYS  45          2HG       LYS  45  -9.746  -9.982  -9.164
  604   1HD   LYS  45          1HD       LYS  45 -10.212 -10.942  -6.979
  605   2HD   LYS  45          2HD       LYS  45 -10.349  -9.185  -6.922
  606   1HE   LYS  45          1HE       LYS  45 -12.161 -10.224  -5.680
  607   2HE   LYS  45          2HE       LYS  45 -12.788  -9.376  -7.092
  608   1HZ   LYS  45          1HZ       LYS  45 -12.371 -12.311  -6.839
  609   2HZ   LYS  45          2HZ       LYS  45 -12.888 -11.528  -8.250
  610   3HZ   LYS  45          3HZ       LYS  45 -13.860 -11.502  -6.864
  611    H    HIS  46           H        HIS  46 -13.652  -9.244 -12.175
  612    HA   HIS  46           HA       HIS  46 -14.521  -6.430 -12.220
  613   1HB   HIS  46          1HB       HIS  46 -15.261  -8.746 -14.017
  614   2HB   HIS  46          2HB       HIS  46 -16.046  -7.173 -14.074
  615    HD1  HIS  46           HD1      HIS  46 -14.481  -8.394 -16.480
  616    HD2  HIS  46           HD2      HIS  46 -12.933  -5.668 -13.745
  617    HE1  HIS  46           HE1      HIS  46 -12.600  -7.223 -17.675
  618    HE2  HIS  46           HE2      HIS  46 -11.840  -5.423 -16.077
  619    H    TYR  47           H        TYR  47 -15.877  -6.006 -10.631
  620    HA   TYR  47           HA       TYR  47 -17.614  -8.058  -9.546
  621   1HB   TYR  47          1HB       TYR  47 -17.416  -5.126  -8.817
  622   2HB   TYR  47          2HB       TYR  47 -18.251  -6.375  -7.899
  623    HD1  TYR  47           HD1      TYR  47 -15.045  -4.866  -8.691
  624    HD2  TYR  47           HD2      TYR  47 -16.962  -8.080  -6.672
  625    HE1  TYR  47           HE1      TYR  47 -12.979  -5.302  -7.438
  626    HE2  TYR  47           HE2      TYR  47 -14.900  -8.526  -5.412
  627    HH   TYR  47           HH       TYR  47 -12.187  -6.351  -5.506
  628    H    THR  48           H        THR  48 -19.967  -7.302  -9.110
  629    HA   THR  48           HA       THR  48 -20.992  -5.718 -11.349
  630    HB   THR  48           HB       THR  48 -22.024  -8.485 -10.697
  631    HG1  THR  48           HG1      THR  48 -19.983  -7.738 -12.204
  632   1HG2  THR  48          1HG2      THR  48 -23.458  -8.168 -12.663
  633   2HG2  THR  48          2HG2      THR  48 -22.848  -6.523 -12.845
  634   3HG2  THR  48          3HG2      THR  48 -23.798  -6.958 -11.424
  635    H    CYS  49           H        CYS  49 -22.325  -4.256 -10.618
  636    HA   CYS  49           HA       CYS  49 -23.949  -4.869  -8.235
  637   1HB   CYS  49          1HB       CYS  49 -22.300  -3.009  -7.946
  638   2HB   CYS  49          2HB       CYS  49 -23.109  -2.138  -9.244
  639    HG   CYS  49           HG       CYS  49 -25.573  -2.013  -7.812
  640    H    THR  50           H        THR  50 -23.857  -3.268 -11.372
  641    HA   THR  50           HA       THR  50 -25.396  -2.569 -12.846
  642    HB   THR  50           HB       THR  50 -27.399  -4.054 -13.204
  643    HG1  THR  50           HG1      THR  50 -26.781  -4.911 -10.768
  644   1HG2  THR  50          1HG2      THR  50 -25.319  -4.371 -14.421
  645   2HG2  THR  50          2HG2      THR  50 -26.055  -5.928 -14.042
  646   3HG2  THR  50          3HG2      THR  50 -24.678  -5.352 -13.102
  647    H    GLU  51           H        GLU  51 -27.842  -2.079 -13.201
  648    HA   GLU  51           HA       GLU  51 -29.558  -0.687 -12.764
  649   1HB   GLU  51          1HB       GLU  51 -29.137  -1.529  -9.893
  650   2HB   GLU  51          2HB       GLU  51 -30.537  -0.653 -10.501
  651   1HG   GLU  51          1HG       GLU  51 -29.685  -3.428 -11.294
  652   2HG   GLU  51          2HG       GLU  51 -31.043  -3.003 -10.256
  653    H    SER  52           H        SER  52 -27.301  -0.253 -10.053
  654    HA   SER  52           HA       SER  52 -26.850   2.497 -10.926
  655   1HB   SER  52          1HB       SER  52 -27.460   1.724  -8.058
  656   2HB   SER  52          2HB       SER  52 -27.044   3.338  -8.632
  657    HG   SER  52           HG       SER  52 -29.099   2.369 -10.064
  658    H    GLN  53           H        GLN  53 -24.816   1.897 -11.645
  659    HA   GLN  53           HA       GLN  53 -22.982   0.386 -10.090
  660   1HB   GLN  53          1HB       GLN  53 -22.473   2.292 -12.381
  661   2HB   GLN  53          2HB       GLN  53 -21.278   1.193 -11.703
  662   1HG   GLN  53          1HG       GLN  53 -22.734  -0.707 -12.320
  663   2HG   GLN  53          2HG       GLN  53 -23.838   0.432 -13.091
  664   1HE2  GLN  53          1HE2      GLN  53 -23.209   1.458 -15.000
  665   2HE2  GLN  53          2HE2      GLN  53 -21.897   0.872 -15.959
  666    H    SER  54           H        SER  54 -24.054   3.571  -9.869
  667    HA   SER  54           HA       SER  54 -21.786   4.302  -8.163
  668   1HB   SER  54          1HB       SER  54 -22.245   5.841 -10.082
  669   2HB   SER  54          2HB       SER  54 -23.845   6.146  -9.408
  670    HG   SER  54           HG       SER  54 -21.318   6.956  -8.489
  671    H    CYS  55           H        CYS  55 -22.663   3.022  -6.478
  672    HA   CYS  55           HA       CYS  55 -25.108   4.005  -5.232
  673   1HB   CYS  55          1HB       CYS  55 -23.277   1.712  -4.499
  674   2HB   CYS  55          2HB       CYS  55 -24.724   2.153  -3.601
  675    HG   CYS  55           HG       CYS  55 -24.829   1.267  -6.906
  676    H    LYS  56           H        LYS  56 -25.010   4.361  -2.824
  677    HA   LYS  56           HA       LYS  56 -23.084   6.414  -2.323
  678   1HB   LYS  56          1HB       LYS  56 -25.094   5.173  -0.433
  679   2HB   LYS  56          2HB       LYS  56 -24.245   6.696  -0.195
  680   1HG   LYS  56          1HG       LYS  56 -25.377   7.661  -2.111
  681   2HG   LYS  56          2HG       LYS  56 -26.185   6.125  -2.427
  682   1HD   LYS  56          1HD       LYS  56 -26.488   7.598   0.177
  683   2HD   LYS  56          2HD       LYS  56 -27.526   7.917  -1.209
  684   1HE   LYS  56          1HE       LYS  56 -28.660   6.371   0.209
  685   2HE   LYS  56          2HE       LYS  56 -28.125   5.493  -1.222
  686   1HZ   LYS  56          1HZ       LYS  56 -26.597   5.512   1.317
  687   2HZ   LYS  56          2HZ       LYS  56 -26.397   4.471  -0.006
  688   3HZ   LYS  56          3HZ       LYS  56 -27.778   4.350   0.969
  689    H    ILE  57           H        ILE  57 -21.022   5.705  -2.049
  690    HA   ILE  57           HA       ILE  57 -20.453   3.349  -0.514
  691    HB   ILE  57           HB       ILE  57 -18.539   5.470  -1.503
  692   1HG1  ILE  57          1HG1      ILE  57 -19.681   4.387  -3.350
  693   2HG1  ILE  57          2HG1      ILE  57 -18.032   3.773  -3.258
  694   1HG2  ILE  57          1HG2      ILE  57 -17.605   4.206   0.357
  695   2HG2  ILE  57          2HG2      ILE  57 -16.817   3.740  -1.151
  696   3HG2  ILE  57          3HG2      ILE  57 -18.038   2.688  -0.431
  697   1HD1  ILE  57          1HD1      ILE  57 -20.506   2.381  -2.256
  698   2HD1  ILE  57          2HD1      ILE  57 -18.858   1.770  -2.110
  699   3HD1  ILE  57          3HD1      ILE  57 -19.584   1.978  -3.703
  700    H    ASP  58           H        ASP  58 -20.570   3.264   1.538
  701    HA   ASP  58           HA       ASP  58 -19.679   5.471   3.231
  702   1HB   ASP  58          1HB       ASP  58 -22.136   5.724   2.930
  703   2HB   ASP  58          2HB       ASP  58 -22.358   4.067   3.465
  704    H    LYS  59           H        LYS  59 -20.030   4.441   5.660
  705    HA   LYS  59           HA       LYS  59 -18.332   2.125   5.679
  706   1HB   LYS  59          1HB       LYS  59 -19.801   3.404   7.988
  707   2HB   LYS  59          2HB       LYS  59 -18.427   2.308   8.095
  708   1HG   LYS  59          1HG       LYS  59 -17.150   4.071   6.749
  709   2HG   LYS  59          2HG       LYS  59 -18.484   5.153   7.146
  710   1HD   LYS  59          1HD       LYS  59 -16.800   5.513   8.780
  711   2HD   LYS  59          2HD       LYS  59 -18.077   4.581   9.566
  712   1HE   LYS  59          1HE       LYS  59 -16.804   2.537   9.267
  713   2HE   LYS  59          2HE       LYS  59 -15.551   3.422   8.397
  714   1HZ   LYS  59          1HZ       LYS  59 -14.864   3.065  10.648
  715   2HZ   LYS  59          2HZ       LYS  59 -16.290   3.748  11.254
  716   3HZ   LYS  59          3HZ       LYS  59 -15.164   4.721  10.437
  717    H    THR  60           H        THR  60 -21.658   2.753   5.613
  718    HA   THR  60           HA       THR  60 -22.526   0.191   6.568
  719    HB   THR  60           HB       THR  60 -24.709   0.919   5.439
  720    HG1  THR  60           HG1      THR  60 -23.441   3.468   5.353
  721   1HG2  THR  60          1HG2      THR  60 -25.201   2.549   7.204
  722   2HG2  THR  60          2HG2      THR  60 -23.477   2.709   7.537
  723   3HG2  THR  60          3HG2      THR  60 -24.295   1.176   7.839
  724    H    GLN  61           H        GLN  61 -22.206   1.682   3.339
  725    HA   GLN  61           HA       GLN  61 -22.834  -0.898   2.118
  726   1HB   GLN  61          1HB       GLN  61 -22.588   1.856   0.898
  727   2HB   GLN  61          2HB       GLN  61 -22.980   0.398  -0.003
  728   1HG   GLN  61          1HG       GLN  61 -24.969   0.123   1.504
  729   2HG   GLN  61          2HG       GLN  61 -24.612   1.729   2.140
  730   1HE2  GLN  61          1HE2      GLN  61 -25.657  -0.086  -0.647
  731   2HE2  GLN  61          2HE2      GLN  61 -26.315   1.260  -1.511
  732    H    ARG  62           H        ARG  62 -20.173  -0.060   3.366
  733    HA   ARG  62           HA       ARG  62 -18.279   0.261   1.306
  734   1HB   ARG  62          1HB       ARG  62 -16.598  -0.317   3.004
  735   2HB   ARG  62          2HB       ARG  62 -17.764   0.852   3.603
  736   1HG   ARG  62          1HG       ARG  62 -18.982  -1.126   4.641
  737   2HG   ARG  62          2HG       ARG  62 -17.524  -2.057   4.295
  738   1HD   ARG  62          1HD       ARG  62 -17.587   0.493   5.904
  739   2HD   ARG  62          2HD       ARG  62 -17.615  -1.123   6.602
  740    HE   ARG  62           HE       ARG  62 -15.389  -1.463   5.677
  741   1HH1  ARG  62          1HH1      ARG  62 -16.560   1.845   5.789
  742   2HH1  ARG  62          2HH1      ARG  62 -14.967   2.534   5.892
  743   1HH2  ARG  62          1HH2      ARG  62 -13.301  -0.530   5.811
  744   2HH2  ARG  62          2HH2      ARG  62 -13.143   1.203   5.919
  745    H    LYS  63           H        LYS  63 -19.487  -2.655   2.920
  746    HA   LYS  63           HA       LYS  63 -17.952  -4.327   1.081
  747   1HB   LYS  63          1HB       LYS  63 -19.797  -5.084   3.352
  748   2HB   LYS  63          2HB       LYS  63 -18.859  -6.215   2.391
  749   1HG   LYS  63          1HG       LYS  63 -16.796  -5.130   3.206
  750   2HG   LYS  63          2HG       LYS  63 -17.786  -4.103   4.244
  751   1HD   LYS  63          1HD       LYS  63 -18.683  -6.083   5.359
  752   2HD   LYS  63          2HD       LYS  63 -17.707  -7.117   4.318
  753   1HE   LYS  63          1HE       LYS  63 -15.680  -6.266   5.273
  754   2HE   LYS  63          2HE       LYS  63 -16.568  -5.042   6.181
  755   1HZ   LYS  63          1HZ       LYS  63 -17.636  -6.789   7.446
  756   2HZ   LYS  63          2HZ       LYS  63 -15.948  -6.926   7.577
  757   3HZ   LYS  63          3HZ       LYS  63 -16.809  -7.976   6.567
  758    H    ARG  64           H        ARG  64 -21.015  -2.915   1.383
  759    HA   ARG  64           HA       ARG  64 -22.583  -4.984   0.224
  760   1HB   ARG  64          1HB       ARG  64 -23.126  -2.048   0.638
  761   2HB   ARG  64          2HB       ARG  64 -24.313  -3.178   0.001
  762   1HG   ARG  64          1HG       ARG  64 -24.166  -4.485   2.072
  763   2HG   ARG  64          2HG       ARG  64 -23.008  -3.318   2.713
  764   1HD   ARG  64          1HD       ARG  64 -25.313  -2.944   3.525
  765   2HD   ARG  64          2HD       ARG  64 -24.658  -1.566   2.637
  766    HE   ARG  64           HE       ARG  64 -26.188  -3.376   1.005
  767   1HH1  ARG  64          1HH1      ARG  64 -26.413  -0.679   3.221
  768   2HH1  ARG  64          2HH1      ARG  64 -27.862  -0.037   2.497
  769   1HH2  ARG  64          1HH2      ARG  64 -28.093  -2.551   0.062
  770   2HH2  ARG  64          2HH2      ARG  64 -28.795  -1.080   0.673
  771    H    CYS  65           H        CYS  65 -20.959  -2.123  -1.058
  772    HA   CYS  65           HA       CYS  65 -21.444  -3.235  -3.736
  773   1HB   CYS  65          1HB       CYS  65 -21.488  -0.339  -2.895
  774   2HB   CYS  65          2HB       CYS  65 -21.314  -0.840  -4.573
  775    HG   CYS  65           HG       CYS  65 -23.868  -0.521  -4.832
  776    HA   PRO  66           HA       PRO  66 -16.886  -3.123  -3.051
  777   1HB   PRO  66          1HB       PRO  66 -17.035  -5.382  -4.942
  778   2HB   PRO  66          2HB       PRO  66 -16.252  -5.293  -3.361
  779   1HG   PRO  66          1HG       PRO  66 -18.495  -6.714  -3.739
  780   2HG   PRO  66          2HG       PRO  66 -18.186  -5.843  -2.224
  781   1HD   PRO  66          1HD       PRO  66 -19.949  -5.086  -4.525
  782   2HD   PRO  66          2HD       PRO  66 -20.241  -4.923  -2.779
  783    H    PHE  67           H        PHE  67 -18.755  -3.647  -6.002
  784    HA   PHE  67           HA       PHE  67 -16.779  -2.787  -7.823
  785   1HB   PHE  67          1HB       PHE  67 -18.789  -4.108  -8.454
  786   2HB   PHE  67          2HB       PHE  67 -19.787  -2.691  -8.147
  787    HD1  PHE  67           HD1      PHE  67 -16.956  -3.900 -10.217
  788    HD2  PHE  67           HD2      PHE  67 -20.169  -1.137  -9.832
  789    HE1  PHE  67           HE1      PHE  67 -16.581  -3.150 -12.529
  790    HE2  PHE  67           HE2      PHE  67 -19.801  -0.384 -12.143
  791    HZ   PHE  67           HZ       PHE  67 -18.007  -1.391 -13.494
  792    H    CYS  68           H        CYS  68 -19.522  -1.103  -6.325
  793    HA   CYS  68           HA       CYS  68 -19.058   1.398  -7.530
  794   1HB   CYS  68          1HB       CYS  68 -20.360   0.850  -4.858
  795   2HB   CYS  68          2HB       CYS  68 -20.579   2.281  -5.860
  796    HG   CYS  68           HG       CYS  68 -21.828   0.852  -7.944
  797    H    ARG  69           H        ARG  69 -17.863  -0.091  -4.575
  798    HA   ARG  69           HA       ARG  69 -16.538   2.133  -3.488
  799   1HB   ARG  69          1HB       ARG  69 -16.917   0.062  -2.233
  800   2HB   ARG  69          2HB       ARG  69 -15.839  -0.808  -3.314
  801   1HG   ARG  69          1HG       ARG  69 -13.966   0.566  -2.548
  802   2HG   ARG  69          2HG       ARG  69 -15.053   1.427  -1.454
  803   1HD   ARG  69          1HD       ARG  69 -15.517  -0.621  -0.252
  804   2HD   ARG  69          2HD       ARG  69 -14.535  -1.543  -1.389
  805    HE   ARG  69           HE       ARG  69 -13.095   0.576  -0.089
  806   1HH1  ARG  69          1HH1      ARG  69 -14.161  -2.743   0.180
  807   2HH1  ARG  69          2HH1      ARG  69 -12.885  -3.205   1.260
  808   1HH2  ARG  69          1HH2      ARG  69 -11.410  -0.015   1.341
  809   2HH2  ARG  69          2HH2      ARG  69 -11.321  -1.650   1.929
  810    H    PHE  70           H        PHE  70 -15.425  -0.413  -5.686
  811    HA   PHE  70           HA       PHE  70 -12.824   0.556  -6.106
  812   1HB   PHE  70          1HB       PHE  70 -13.480  -1.692  -6.759
  813   2HB   PHE  70          2HB       PHE  70 -14.647  -1.053  -7.909
  814    HD1  PHE  70           HD1      PHE  70 -10.995  -0.954  -7.158
  815    HD2  PHE  70           HD2      PHE  70 -14.054  -0.886 -10.117
  816    HE1  PHE  70           HE1      PHE  70  -9.284  -1.027  -8.926
  817    HE2  PHE  70           HE2      PHE  70 -12.352  -0.959 -11.887
  818    HZ   PHE  70           HZ       PHE  70  -9.961  -1.030 -11.294
  819    H    GLN  71           H        GLN  71 -15.853   1.141  -7.859
  820    HA   GLN  71           HA       GLN  71 -14.874   2.817  -9.849
  821   1HB   GLN  71          1HB       GLN  71 -17.551   2.665  -8.485
  822   2HB   GLN  71          2HB       GLN  71 -17.234   3.845  -9.749
  823   1HG   GLN  71          1HG       GLN  71 -16.967   0.862 -10.049
  824   2HG   GLN  71          2HG       GLN  71 -18.338   1.828 -10.594
  825   1HE2  GLN  71          1HE2      GLN  71 -16.647   4.058 -11.436
  826   2HE2  GLN  71          2HE2      GLN  71 -15.871   3.552 -12.903
  827    H    LYS  72           H        LYS  72 -15.791   3.590  -6.509
  828    HA   LYS  72           HA       LYS  72 -15.349   6.386  -6.912
  829   1HB   LYS  72          1HB       LYS  72 -16.879   5.691  -5.156
  830   2HB   LYS  72          2HB       LYS  72 -15.571   4.861  -4.319
  831   1HG   LYS  72          1HG       LYS  72 -14.693   6.768  -3.495
  832   2HG   LYS  72          2HG       LYS  72 -15.101   7.705  -4.933
  833   1HD   LYS  72          1HD       LYS  72 -17.037   6.847  -2.805
  834   2HD   LYS  72          2HD       LYS  72 -16.330   8.450  -2.939
  835   1HE   LYS  72          1HE       LYS  72 -17.341   8.567  -5.242
  836   2HE   LYS  72          2HE       LYS  72 -18.218   7.089  -4.847
  837   1HZ   LYS  72          1HZ       LYS  72 -18.407   9.687  -3.427
  838   2HZ   LYS  72          2HZ       LYS  72 -19.190   8.264  -2.936
  839   3HZ   LYS  72          3HZ       LYS  72 -19.596   8.989  -4.414
  840    H    CYS  73           H        CYS  73 -13.326   3.697  -5.955
  841    HA   CYS  73           HA       CYS  73 -11.133   5.118  -4.969
  842   1HB   CYS  73          1HB       CYS  73 -11.114   2.635  -6.703
  843   2HB   CYS  73          2HB       CYS  73  -9.756   3.222  -5.749
  844    HG   CYS  73           HG       CYS  73 -12.736   2.319  -4.335
  845    H    LEU  74           H        LEU  74 -11.982   4.270  -8.325
  846    HA   LEU  74           HA       LEU  74  -9.917   5.875  -9.469
  847   1HB   LEU  74          1HB       LEU  74 -12.448   4.700 -10.599
  848   2HB   LEU  74          2HB       LEU  74 -11.340   5.646 -11.561
  849    HG   LEU  74           HG       LEU  74  -9.550   3.961 -10.904
  850   1HD1  LEU  74          1HD1      LEU  74 -11.999   2.440 -10.079
  851   2HD1  LEU  74          2HD1      LEU  74 -10.635   2.902  -9.059
  852   3HD1  LEU  74          3HD1      LEU  74 -10.412   1.719 -10.349
  853   1HD2  LEU  74          1HD2      LEU  74 -10.563   4.076 -13.123
  854   2HD2  LEU  74          2HD2      LEU  74 -11.863   3.015 -12.577
  855   3HD2  LEU  74          3HD2      LEU  74 -10.204   2.416 -12.646
  856    H    THR  75           H        THR  75 -13.235   6.413  -8.541
  857    HA   THR  75           HA       THR  75 -13.792   8.883  -9.652
  858    HB   THR  75           HB       THR  75 -14.615   7.525  -7.111
  859    HG1  THR  75           HG1      THR  75 -15.535   6.825  -9.062
  860   1HG2  THR  75          1HG2      THR  75 -15.809  10.159  -7.953
  861   2HG2  THR  75          2HG2      THR  75 -14.576  10.017  -6.700
  862   3HG2  THR  75          3HG2      THR  75 -16.139   9.223  -6.487
  863    H    VAL  76           H        VAL  76 -12.134   8.195  -6.568
  864    HA   VAL  76           HA       VAL  76 -11.737  10.999  -6.060
  865    HB   VAL  76           HB       VAL  76 -10.462  10.259  -4.069
  866   1HG1  VAL  76          1HG1      VAL  76 -13.149   8.945  -4.453
  867   2HG1  VAL  76          2HG1      VAL  76 -12.865  10.613  -3.952
  868   3HG1  VAL  76          3HG1      VAL  76 -12.382   9.282  -2.901
  869   1HG2  VAL  76          1HG2      VAL  76 -10.445   7.882  -3.466
  870   2HG2  VAL  76          2HG2      VAL  76  -9.523   8.182  -4.939
  871   3HG2  VAL  76          3HG2      VAL  76 -11.137   7.481  -5.038
  872    H    GLY  77           H        GLY  77  -9.793   8.353  -7.340
  873   1HA   GLY  77          1HA       GLY  77  -8.352   9.273  -9.178
  874   2HA   GLY  77          2HA       GLY  77  -7.746  10.388  -7.969
  875    H    MET  78           H        MET  78  -8.354   6.955  -7.373
  876    HA   MET  78           HA       MET  78  -5.593   6.600  -6.627
  877   1HB   MET  78          1HB       MET  78  -7.874   4.618  -6.804
  878   2HB   MET  78          2HB       MET  78  -6.268   4.234  -6.197
  879   1HG   MET  78          1HG       MET  78  -6.555   5.914  -4.428
  880   2HG   MET  78          2HG       MET  78  -8.184   6.234  -5.017
  881   1HE   MET  78          1HE       MET  78  -6.322   2.763  -4.757
  882   2HE   MET  78          2HE       MET  78  -6.844   2.226  -3.159
  883   3HE   MET  78          3HE       MET  78  -5.796   3.636  -3.316
  884    H    ARG  79           H        ARG  79  -4.006   6.010  -7.917
  885    HA   ARG  79           HA       ARG  79  -4.461   5.879 -10.708
  886   1HB   ARG  79          1HB       ARG  79  -1.957   5.383  -9.100
  887   2HB   ARG  79          2HB       ARG  79  -2.006   5.525 -10.851
  888   1HG   ARG  79          1HG       ARG  79  -2.745   7.664  -8.866
  889   2HG   ARG  79          2HG       ARG  79  -1.289   7.607  -9.864
  890   1HD   ARG  79          1HD       ARG  79  -2.720   7.667 -11.878
  891   2HD   ARG  79          2HD       ARG  79  -4.132   7.837 -10.838
  892    HE   ARG  79           HE       ARG  79  -2.344   9.872 -10.184
  893   1HH1  ARG  79          1HH1      ARG  79  -4.294   8.835 -12.890
  894   2HH1  ARG  79          2HH1      ARG  79  -4.528  10.441 -13.515
  895   1HH2  ARG  79          1HH2      ARG  79  -2.622  12.008 -11.010
  896   2HH2  ARG  79          2HH2      ARG  79  -3.578  12.248 -12.444
  897    H    LEU  80           H        LEU  80  -4.835   4.246 -11.989
  898    HA   LEU  80           HA       LEU  80  -5.009   1.552 -11.018
  899   1HB   LEU  80          1HB       LEU  80  -5.341   2.759 -13.766
  900   2HB   LEU  80          2HB       LEU  80  -5.532   1.049 -13.447
  901    HG   LEU  80           HG       LEU  80  -7.694   2.068 -13.589
  902   1HD1  LEU  80          1HD1      LEU  80  -6.942   1.374 -10.763
  903   2HD1  LEU  80          2HD1      LEU  80  -7.543   0.285 -12.013
  904   3HD1  LEU  80          3HD1      LEU  80  -8.599   1.531 -11.345
  905   1HD2  LEU  80          1HD2      LEU  80  -7.063   4.369 -13.072
  906   2HD2  LEU  80          2HD2      LEU  80  -6.817   3.925 -11.383
  907   3HD2  LEU  80          3HD2      LEU  80  -8.429   3.838 -12.091
  908    H    GLU  81           H        GLU  81  -2.960   3.309 -13.288
  909    HA   GLU  81           HA       GLU  81  -1.422   0.993 -13.998
  910   1HB   GLU  81          1HB       GLU  81  -0.029   2.644 -15.247
  911   2HB   GLU  81          2HB       GLU  81  -1.738   2.701 -15.653
  912   1HG   GLU  81          1HG       GLU  81  -0.728   4.539 -13.552
  913   2HG   GLU  81          2HG       GLU  81  -0.329   4.885 -15.230
  914    H    ALA  82           H        ALA  82  -1.473   2.632 -11.212
  915    HA   ALA  82           HA       ALA  82   1.361   2.957 -10.783
  916   1HB   ALA  82          1HB       ALA  82   0.750   3.575  -8.507
  917   2HB   ALA  82          2HB       ALA  82  -0.915   3.076  -8.807
  918   3HB   ALA  82          3HB       ALA  82  -0.235   4.449  -9.680
  919    H    VAL  83           H        VAL  83  -1.067   0.518 -10.241
  920    HA   VAL  83           HA       VAL  83   0.376  -0.956  -8.294
  921    HB   VAL  83           HB       VAL  83  -1.246  -2.697  -8.632
  922   1HG1  VAL  83          1HG1      VAL  83  -1.988  -0.856  -7.300
  923   2HG1  VAL  83          2HG1      VAL  83  -3.334  -1.452  -8.271
  924   3HG1  VAL  83          3HG1      VAL  83  -2.495   0.025  -8.741
  925   1HG2  VAL  83          1HG2      VAL  83  -1.359  -2.709 -11.057
  926   2HG2  VAL  83          2HG2      VAL  83  -2.196  -1.156 -11.032
  927   3HG2  VAL  83          3HG2      VAL  83  -2.972  -2.588 -10.354
  928    H    ARG  84           H        ARG  84   1.662  -2.732  -8.531
  929    HA   ARG  84           HA       ARG  84   2.375  -3.447 -11.290
  930   1HB   ARG  84          1HB       ARG  84   4.074  -3.548  -8.793
  931   2HB   ARG  84          2HB       ARG  84   4.563  -4.194 -10.354
  932   1HG   ARG  84          1HG       ARG  84   4.337  -1.935 -11.322
  933   2HG   ARG  84          2HG       ARG  84   3.958  -1.315  -9.713
  934   1HD   ARG  84          1HD       ARG  84   6.127  -2.002  -8.899
  935   2HD   ARG  84          2HD       ARG  84   6.504  -2.748 -10.452
  936    HE   ARG  84           HE       ARG  84   5.979   0.144 -10.273
  937   1HH1  ARG  84          1HH1      ARG  84   8.090  -2.538 -11.066
  938   2HH1  ARG  84          2HH1      ARG  84   9.286  -1.536 -11.839
  939   1HH2  ARG  84          1HH2      ARG  84   7.550   1.465 -11.280
  940   2HH2  ARG  84          2HH2      ARG  84   8.985   0.742 -11.956
  941    H    ALA  85           H        ALA  85   0.738  -4.970 -11.461
  942    HA   ALA  85           HA       ALA  85   0.291  -7.140  -9.759
  943   1HB   ALA  85          1HB       ALA  85   0.012  -7.067 -12.761
  944   2HB   ALA  85          2HB       ALA  85  -1.202  -6.528 -11.601
  945   3HB   ALA  85          3HB       ALA  85  -0.745  -8.230 -11.674
  946    H    ASP  86           H        ASP  86   2.959  -6.473 -11.779
  947    HA   ASP  86           HA       ASP  86   3.944  -9.117 -12.133
  948   1HB   ASP  86          1HB       ASP  86   5.487  -6.513 -12.068
  949   2HB   ASP  86          2HB       ASP  86   6.056  -8.042 -12.731
  950    H    ARG  87           H        ARG  87   3.452  -7.383  -9.413
  951    HA   ARG  87           HA       ARG  87   3.930  -7.708  -7.241
  952   1HB   ARG  87          1HB       ARG  87   3.917 -10.178  -8.147
  953   2HB   ARG  87          2HB       ARG  87   5.643 -10.089  -7.835
  954   1HG   ARG  87          1HG       ARG  87   3.616  -9.405  -5.732
  955   2HG   ARG  87          2HG       ARG  87   4.157 -11.059  -6.011
  956   1HD   ARG  87          1HD       ARG  87   6.040  -8.780  -5.458
  957   2HD   ARG  87          2HD       ARG  87   5.351  -9.787  -4.184
  958    HE   ARG  87           HE       ARG  87   6.397 -11.697  -5.567
  959   1HH1  ARG  87          1HH1      ARG  87   7.758  -8.500  -5.221
  960   2HH1  ARG  87          2HH1      ARG  87   9.399  -9.019  -5.421
  961   1HH2  ARG  87          1HH2      ARG  87   8.549 -12.415  -5.808
  962   2HH2  ARG  87          2HH2      ARG  87   9.858 -11.267  -5.743
  963    H    MET  88           H        MET  88   5.108  -5.798  -7.246
  964    HA   MET  88           HA       MET  88   7.924  -6.213  -6.577
  965   1HB   MET  88          1HB       MET  88   7.942  -5.422  -8.901
  966   2HB   MET  88          2HB       MET  88   6.928  -4.057  -8.457
  967   1HG   MET  88          1HG       MET  88   9.180  -3.298  -8.669
  968   2HG   MET  88          2HG       MET  88   8.734  -3.258  -6.964
  969   1HE   MET  88          1HE       MET  88  10.868  -4.984  -9.738
  970   2HE   MET  88          2HE       MET  88   9.785  -6.293  -9.263
  971   3HE   MET  88          3HE       MET  88  11.507  -6.397  -8.899
  972    H    ARG  89           H        ARG  89   8.290  -5.338  -4.642
  973    HA   ARG  89           HA       ARG  89   6.205  -3.782  -3.396
  974   1HB   ARG  89          1HB       ARG  89   8.791  -4.937  -2.364
  975   2HB   ARG  89          2HB       ARG  89   7.728  -3.945  -1.374
  976   1HG   ARG  89          1HG       ARG  89   5.913  -5.565  -1.740
  977   2HG   ARG  89          2HG       ARG  89   7.027  -6.573  -2.667
  978   1HD   ARG  89          1HD       ARG  89   8.390  -6.959  -0.752
  979   2HD   ARG  89          2HD       ARG  89   7.524  -5.741   0.183
  980    HE   ARG  89           HE       ARG  89   5.693  -7.691  -0.629
  981   1HH1  ARG  89          1HH1      ARG  89   8.468  -7.396   1.492
  982   2HH1  ARG  89          2HH1      ARG  89   7.881  -8.580   2.623
  983   1HH2  ARG  89          1HH2      ARG  89   4.931  -9.246   0.852
  984   2HH2  ARG  89          2HH2      ARG  89   5.878  -9.632   2.257
  985    H    GLY  90           H        GLY  90   6.810  -2.126  -5.183
  986   1HA   GLY  90          1HA       GLY  90   7.521   0.250  -4.154
  987   2HA   GLY  90          2HA       GLY  90   9.085  -0.449  -4.560
  988    H    GLY  91           H        GLY  91   9.793   0.440  -6.377
  989   1HA   GLY  91          1HA       GLY  91   9.883   0.896  -8.636
  990   2HA   GLY  91          2HA       GLY  91   8.331   0.090  -8.812
  991    H    ARG  92           H        ARG  92   9.354   2.957  -6.990
  992    HA   ARG  92           HA       ARG  92   6.960   4.339  -7.874
  993   1HB   ARG  92          1HB       ARG  92   9.172   5.399  -6.112
  994   2HB   ARG  92          2HB       ARG  92   7.542   6.037  -6.274
  995   1HG   ARG  92          1HG       ARG  92   6.634   4.046  -5.227
  996   2HG   ARG  92          2HG       ARG  92   8.253   3.351  -5.115
  997   1HD   ARG  92          1HD       ARG  92   7.229   5.825  -3.733
  998   2HD   ARG  92          2HD       ARG  92   7.656   4.287  -2.983
  999    HE   ARG  92           HE       ARG  92   9.909   5.223  -4.336
 1000   1HH1  ARG  92          1HH1      ARG  92   7.918   6.101  -1.599
 1001   2HH1  ARG  92          2HH1      ARG  92   9.196   6.944  -0.777
 1002   1HH2  ARG  92          1HH2      ARG  92  11.592   6.343  -3.277
 1003   2HH2  ARG  92          2HH2      ARG  92  11.289   7.095  -1.737
 1004    H    ASN  93           H        ASN  93   7.385   4.643 -10.083
 1005    HA   ASN  93           HA       ASN  93   9.571   6.539 -10.664
 1006   1HB   ASN  93          1HB       ASN  93   9.940   4.277 -11.617
 1007   2HB   ASN  93          2HB       ASN  93   8.421   4.413 -12.491
 1008   1HD2  ASN  93          1HD2      ASN  93  11.236   4.077 -13.357
 1009   2HD2  ASN  93          2HD2      ASN  93  11.509   5.351 -14.503
 1010    H    LYS  94           H        LYS  94   6.523   5.360 -12.086
 1011    HA   LYS  94           HA       LYS  94   6.076   7.637 -13.672
 1012   1HB   LYS  94          1HB       LYS  94   5.041   5.422 -14.055
 1013   2HB   LYS  94          2HB       LYS  94   4.057   5.649 -12.618
 1014   1HG   LYS  94          1HG       LYS  94   2.621   6.176 -14.359
 1015   2HG   LYS  94          2HG       LYS  94   3.171   7.750 -13.789
 1016   1HD   LYS  94          1HD       LYS  94   4.459   6.306 -16.095
 1017   2HD   LYS  94          2HD       LYS  94   3.105   7.416 -16.302
 1018   1HE   LYS  94          1HE       LYS  94   4.414   9.225 -15.347
 1019   2HE   LYS  94          2HE       LYS  94   5.754   8.121 -15.044
 1020   1HZ   LYS  94          1HZ       LYS  94   6.173   9.366 -17.033
 1021   2HZ   LYS  94          2HZ       LYS  94   4.686   8.909 -17.702
 1022   3HZ   LYS  94          3HZ       LYS  94   5.895   7.747 -17.457
 1023    H    PHE  95           H        PHE  95   4.917   6.766 -10.449
 1024    HA   PHE  95           HA       PHE  95   3.848   9.500 -10.182
 1025   1HB   PHE  95          1HB       PHE  95   2.837   7.004  -8.800
 1026   2HB   PHE  95          2HB       PHE  95   2.159   8.623  -8.657
 1027    HD1  PHE  95           HD1      PHE  95   1.282   9.710 -10.819
 1028    HD2  PHE  95           HD2      PHE  95   2.049   5.547 -10.406
 1029    HE1  PHE  95           HE1      PHE  95  -0.190   9.254 -12.735
 1030    HE2  PHE  95           HE2      PHE  95   0.580   5.082 -12.320
 1031    HZ   PHE  95           HZ       PHE  95  -0.541   6.936 -13.490
 1032    H    GLY  96           H        GLY  96   6.510   8.202  -9.541
 1033   1HA   GLY  96          1HA       GLY  96   6.760   7.873  -6.748
 1034   2HA   GLY  96          2HA       GLY  96   8.077   8.194  -7.863
 1035    HA   PRO  97           HA       PRO  97   8.766  12.335  -6.641
 1036   1HB   PRO  97          1HB       PRO  97   7.435  13.511  -9.027
 1037   2HB   PRO  97          2HB       PRO  97   9.068  13.766  -8.406
 1038   1HG   PRO  97          1HG       PRO  97   8.661  12.257 -10.555
 1039   2HG   PRO  97          2HG       PRO  97   9.874  11.802  -9.343
 1040   1HD   PRO  97          1HD       PRO  97   7.143  10.682  -9.806
 1041   2HD   PRO  97          2HD       PRO  97   8.641   9.851  -9.344
 1042    H    MET  98           H        MET  98   5.439  11.889  -7.788
 1043    HA   MET  98           HA       MET  98   4.442  14.335  -6.787
 1044   1HB   MET  98          1HB       MET  98   2.252  13.520  -7.221
 1045   2HB   MET  98          2HB       MET  98   3.288  12.899  -8.495
 1046   1HG   MET  98          1HG       MET  98   3.358  10.735  -7.418
 1047   2HG   MET  98          2HG       MET  98   2.385  11.346  -6.083
 1048   1HE   MET  98          1HE       MET  98  -1.041  12.066  -7.834
 1049   2HE   MET  98          2HE       MET  98   0.289  13.200  -7.592
 1050   3HE   MET  98          3HE       MET  98  -0.155  12.072  -6.310
 1051    H    TYR  99           H        TYR  99   5.015  11.254  -5.271
 1052    HA   TYR  99           HA       TYR  99   3.388  11.534  -3.004
 1053   1HB   TYR  99          1HB       TYR  99   5.979  10.080  -3.480
 1054   2HB   TYR  99          2HB       TYR  99   5.145  10.017  -1.932
 1055    HD1  TYR  99           HD1      TYR  99   5.528   8.439  -5.039
 1056    HD2  TYR  99           HD2      TYR  99   2.575   9.367  -2.122
 1057    HE1  TYR  99           HE1      TYR  99   4.117   6.616  -5.893
 1058    HE2  TYR  99           HE2      TYR  99   1.157   7.551  -2.969
 1059    HH   TYR  99           HH       TYR  99   2.308   5.190  -5.152
 1060    H    LYS 100           H        LYS 100   6.841  12.280  -3.393
 1061    HA   LYS 100           HA       LYS 100   7.030  13.551  -0.853
 1062   1HB   LYS 100          1HB       LYS 100   8.852  13.484  -3.243
 1063   2HB   LYS 100          2HB       LYS 100   9.255  14.350  -1.768
 1064   1HG   LYS 100          1HG       LYS 100   8.966  12.181  -0.535
 1065   2HG   LYS 100          2HG       LYS 100   8.830  11.396  -2.107
 1066   1HD   LYS 100          1HD       LYS 100  11.033  12.095  -2.716
 1067   2HD   LYS 100          2HD       LYS 100  11.183  13.060  -1.246
 1068   1HE   LYS 100          1HE       LYS 100  10.928  10.962   0.071
 1069   2HE   LYS 100          2HE       LYS 100  10.962  10.060  -1.443
 1070   1HZ   LYS 100          1HZ       LYS 100  13.141  11.782  -0.382
 1071   2HZ   LYS 100          2HZ       LYS 100  13.178  10.961  -1.866
 1072   3HZ   LYS 100          3HZ       LYS 100  13.128  10.087  -0.420
 1073    H    ARG 101           H        ARG 101   6.091  14.560  -4.004
 1074    HA   ARG 101           HA       ARG 101   6.364  17.339  -3.731
 1075   1HB   ARG 101          1HB       ARG 101   5.751  16.295  -5.858
 1076   2HB   ARG 101          2HB       ARG 101   4.234  15.735  -5.167
 1077   1HG   ARG 101          1HG       ARG 101   3.794  18.252  -4.736
 1078   2HG   ARG 101          2HG       ARG 101   5.048  18.496  -5.954
 1079   1HD   ARG 101          1HD       ARG 101   2.894  18.507  -7.027
 1080   2HD   ARG 101          2HD       ARG 101   3.768  17.049  -7.499
 1081    HE   ARG 101           HE       ARG 101   2.228  16.361  -5.298
 1082   1HH1  ARG 101          1HH1      ARG 101   1.658  17.537  -8.551
 1083   2HH1  ARG 101          2HH1      ARG 101   0.110  16.763  -8.688
 1084   1HH2  ARG 101          1HH2      ARG 101   0.214  15.358  -5.460
 1085   2HH2  ARG 101          2HH2      ARG 101  -0.713  15.510  -6.938
 1086    H    ASP 102           H        ASP 102   3.550  15.240  -3.101
 1087    HA   ASP 102           HA       ASP 102   1.943  17.161  -1.860
 1088   1HB   ASP 102          1HB       ASP 102   2.029  14.167  -1.764
 1089   2HB   ASP 102          2HB       ASP 102   0.952  15.043  -0.682
 1090    H    ARG 103           H        ARG 103   4.454  15.067  -0.549
 1091    HA   ARG 103           HA       ARG 103   4.166  15.571   2.168
 1092   1HB   ARG 103          1HB       ARG 103   6.641  15.197   0.486
 1093   2HB   ARG 103          2HB       ARG 103   6.713  15.369   2.232
 1094   1HG   ARG 103          1HG       ARG 103   5.053  13.251   0.908
 1095   2HG   ARG 103          2HG       ARG 103   6.761  13.017   1.279
 1096   1HD   ARG 103          1HD       ARG 103   5.530  12.096   3.087
 1097   2HD   ARG 103          2HD       ARG 103   6.222  13.611   3.659
 1098    HE   ARG 103           HE       ARG 103   3.528  13.823   2.645
 1099   1HH1  ARG 103          1HH1      ARG 103   5.558  13.331   5.464
 1100   2HH1  ARG 103          2HH1      ARG 103   4.274  13.670   6.589
 1101   1HH2  ARG 103          1HH2      ARG 103   1.858  14.279   4.123
 1102   2HH2  ARG 103          2HH2      ARG 103   2.181  14.220   5.830
 1103    H    ALA 104           H        ALA 104   5.984  17.456  -0.240
 1104    HA   ALA 104           HA       ALA 104   6.789  19.452   1.638
 1105   1HB   ALA 104          1HB       ALA 104   7.683  20.633  -0.290
 1106   2HB   ALA 104          2HB       ALA 104   6.813  19.546  -1.375
 1107   3HB   ALA 104          3HB       ALA 104   8.109  18.923  -0.353
 1108    H    LEU 105           H        LEU 105   4.034  19.054  -0.443
 1109    HA   LEU 105           HA       LEU 105   3.234  21.802  -0.382
 1110   1HB   LEU 105          1HB       LEU 105   1.686  19.316  -1.095
 1111   2HB   LEU 105          2HB       LEU 105   1.103  20.952  -1.321
 1112    HG   LEU 105           HG       LEU 105   3.517  19.760  -2.687
 1113   1HD1  LEU 105          1HD1      LEU 105   2.134  19.816  -4.696
 1114   2HD1  LEU 105          2HD1      LEU 105   0.765  20.387  -3.742
 1115   3HD1  LEU 105          3HD1      LEU 105   1.426  18.777  -3.459
 1116   1HD2  LEU 105          1HD2      LEU 105   3.740  22.161  -2.342
 1117   2HD2  LEU 105          2HD2      LEU 105   2.147  22.423  -3.051
 1118   3HD2  LEU 105          3HD2      LEU 105   3.462  21.798  -4.045
 1119    H    LYS 106           H        LYS 106   2.233  18.867   1.322
 1120    HA   LYS 106           HA       LYS 106   0.155  20.239   2.750
 1121   1HB   LYS 106          1HB       LYS 106   1.270  17.458   3.069
 1122   2HB   LYS 106          2HB       LYS 106  -0.163  18.071   3.888
 1123   1HG   LYS 106          1HG       LYS 106  -1.262  18.423   1.754
 1124   2HG   LYS 106          2HG       LYS 106   0.183  17.871   0.904
 1125   1HD   LYS 106          1HD       LYS 106  -0.049  15.677   1.976
 1126   2HD   LYS 106          2HD       LYS 106  -1.517  16.240   2.779
 1127   1HE   LYS 106          1HE       LYS 106  -1.110  16.094  -0.206
 1128   2HE   LYS 106          2HE       LYS 106  -1.994  14.912   0.757
 1129   1HZ   LYS 106          1HZ       LYS 106  -3.528  16.689   1.413
 1130   2HZ   LYS 106          2HZ       LYS 106  -3.518  16.437  -0.264
 1131   3HZ   LYS 106          3HZ       LYS 106  -2.707  17.776   0.397
 1132    H    GLN 107           H        GLN 107   3.505  19.794   3.269
 1133    HA   GLN 107           HA       GLN 107   3.337  20.156   6.133
 1134   1HB   GLN 107          1HB       GLN 107   5.738  20.227   6.131
 1135   2HB   GLN 107          2HB       GLN 107   5.232  18.926   5.064
 1136   1HG   GLN 107          1HG       GLN 107   5.653  20.324   3.126
 1137   2HG   GLN 107          2HG       GLN 107   6.100  21.668   4.176
 1138   1HE2  GLN 107          1HE2      GLN 107   6.963  18.349   4.827
 1139   2HE2  GLN 107          2HE2      GLN 107   8.662  18.535   4.559
 1140    H    GLN 108           H        GLN 108   3.386  22.103   3.321
 1141    HA   GLN 108           HA       GLN 108   4.388  24.503   4.475
 1142   1HB   GLN 108          1HB       GLN 108   4.336  24.040   2.028
 1143   2HB   GLN 108          2HB       GLN 108   2.582  24.155   2.072
 1144   1HG   GLN 108          1HG       GLN 108   2.753  26.480   2.794
 1145   2HG   GLN 108          2HG       GLN 108   4.512  26.363   2.742
 1146   1HE2  GLN 108          1HE2      GLN 108   5.556  26.268   0.751
 1147   2HE2  GLN 108          2HE2      GLN 108   4.755  26.706  -0.725
 1148    H    LYS 109           H        LYS 109   3.426  25.601   6.018
 1149    HA   LYS 109           HA       LYS 109   1.891  26.478   7.426
 1150   1HB   LYS 109          1HB       LYS 109   0.944  27.455   5.366
 1151   2HB   LYS 109          2HB       LYS 109  -0.070  26.034   5.164
 1152   1HG   LYS 109          1HG       LYS 109  -1.221  26.552   7.257
 1153   2HG   LYS 109          2HG       LYS 109  -0.197  27.973   7.469
 1154   1HD   LYS 109          1HD       LYS 109  -1.984  27.544   5.080
 1155   2HD   LYS 109          2HD       LYS 109  -2.479  28.429   6.523
 1156   1HE   LYS 109          1HE       LYS 109  -0.122  29.120   4.771
 1157   2HE   LYS 109          2HE       LYS 109  -1.694  29.916   4.722
 1158   1HZ   LYS 109          1HZ       LYS 109  -0.150  31.200   6.031
 1159   2HZ   LYS 109          2HZ       LYS 109   0.179  29.871   7.031
 1160   3HZ   LYS 109          3HZ       LYS 109  -1.361  30.577   7.046
 1161    H    LYS 110           H        LYS 110   1.971  23.373   6.517
 1162    HA   LYS 110           HA       LYS 110   1.150  21.395   7.257
 1163   1HB   LYS 110          1HB       LYS 110   0.295  23.024   9.659
 1164   2HB   LYS 110          2HB       LYS 110   0.416  21.272   9.596
 1165   1HG   LYS 110          1HG       LYS 110   2.845  21.504   9.155
 1166   2HG   LYS 110          2HG       LYS 110   2.677  23.248   9.367
 1167   1HD   LYS 110          1HD       LYS 110   1.789  22.823  11.651
 1168   2HD   LYS 110          2HD       LYS 110   2.133  21.108  11.423
 1169   1HE   LYS 110          1HE       LYS 110   4.126  23.371  11.425
 1170   2HE   LYS 110          2HE       LYS 110   3.930  22.137  12.668
 1171   1HZ   LYS 110          1HZ       LYS 110   5.785  21.573  11.288
 1172   2HZ   LYS 110          2HZ       LYS 110   4.858  21.720   9.880
 1173   3HZ   LYS 110          3HZ       LYS 110   4.539  20.463  10.975
 1174    H    ALA 111           H        ALA 111  -0.515  22.984   5.573
 1175    HA   ALA 111           HA       ALA 111  -3.051  21.700   6.104
 1176   1HB   ALA 111          1HB       ALA 111  -3.281  23.811   7.328
 1177   2HB   ALA 111          2HB       ALA 111  -4.372  23.747   5.943
 1178   3HB   ALA 111          3HB       ALA 111  -2.894  24.705   5.857
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  29.447   5.083   0.393
    2   2H5*    G   1          2H5*        G   1  28.531   3.642   0.863
    3    H4*    G   1           H4*        G   1  28.584   5.870   2.302
    4    H3*    G   1           H3*        G   1  27.120   3.568   2.499
    5    H1*    G   1           H1*        G   1  25.556   7.086   2.477
    6    H8     G   1           H8         G   1  25.267   5.538  -1.061
    7    H1     G   1           H1         G   1  20.920  10.029   0.400
    8   1H2     G   1          1H2         G   1  21.182  10.685   2.489
    9   2H2     G   1          2H2         G   1  22.426  10.026   3.528
   10    H5T    G   1           H5T        G   1  26.910   5.292  -0.465
   11   1H2*    G   1          1H2*        G   1  25.180   4.285   1.307
   12   2H2*    G   1          2H2*        G   1  24.761   4.855   2.916
   13   1H5*    G   2          1H5*        G   2  25.820   7.218   5.294
   14   2H5*    G   2          2H5*        G   2  26.011   6.458   6.888
   15    H4*    G   2           H4*        G   2  24.318   8.083   7.096
   16    H3*    G   2           H3*        G   2  23.766   5.552   7.863
   17    H1*    G   2           H1*        G   2  21.251   7.556   5.708
   18    H8     G   2           H8         G   2  23.070   4.785   3.698
   19    H1     G   2           H1         G   2  18.434   7.964   0.594
   20   1H2     G   2          1H2         G   2  17.625   9.562   1.889
   21   2H2     G   2          2H2         G   2  18.224   9.843   3.508
   22   1H2*    G   2          1H2*        G   2  22.595   4.824   5.908
   23   2H2*    G   2          2H2*        G   2  21.254   5.455   6.854
   24   1H5*    C   3          1H5*        C   3  20.367   8.696   6.857
   25   2H5*    C   3          2H5*        C   3  19.983   8.979   8.566
   26    H4*    C   3           H4*        C   3  18.047   9.604   7.509
   27    H3*    C   3           H3*        C   3  17.754   7.454   9.130
   28    H1*    C   3           H1*        C   3  16.167   7.555   5.610
   29   1H4     C   3          1H4         C   3  18.024   3.578   1.055
   30   2H4     C   3          2H4         C   3  19.325   2.940   2.039
   31    H5     C   3           H5         C   3  19.789   3.742   4.282
   32    H6     C   3           H6         C   3  19.123   5.331   6.009
   33   1H2*    C   3          1H2*        C   3  17.782   5.741   7.462
   34   2H2*    C   3          2H2*        C   3  16.060   6.094   7.513
   35   1H5*    T   4          1H5*        T   4  14.497   9.808   7.416
   36   2H5*    T   4          2H5*        T   4  13.132  10.230   8.471
   37    H4*    T   4           H4*        T   4  12.417  10.431   6.220
   38    H3*    T   4           H3*        T   4  11.005   8.844   7.971
   39   1H2*    T   4          1H2*        T   4  11.587   6.721   7.074
   40   2H2*    T   4          2H2*        T   4  10.251   7.109   6.000
   41    H1*    T   4           H1*        T   4  11.698   7.957   4.281
   42    H3     T   4           H3         T   4  13.399   4.326   2.353
   43   1H5M    T   4          1H5M        T   4  15.903   4.507   6.940
   44   2H5M    T   4          2H5M        T   4  14.500   3.492   7.350
   45   3H5M    T   4          3H5M        T   4  15.640   2.967   6.089
   46    H6     T   4           H6         T   4  13.735   6.099   6.767
   47   1H5*    C   5          1H5*        C   5  10.029   9.828   3.736
   48   2H5*    C   5          2H5*        C   5   8.457  10.651   3.734
   49    H4*    C   5           H4*        C   5   8.916   9.945   1.525
   50    H3*    C   5           H3*        C   5   6.548   9.280   2.653
   51    H1*    C   5           H1*        C   5   8.655   6.600   0.722
   52   1H4     C   5          1H4         C   5  10.919   1.692   4.015
   53   2H4     C   5          2H4         C   5  10.758   2.544   5.536
   54    H5     C   5           H5         C   5   9.876   4.797   5.691
   55    H6     C   5           H6         C   5   8.976   6.677   4.426
   56   1H2*    C   5          1H2*        C   5   6.990   7.014   3.233
   57   2H2*    C   5          2H2*        C   5   6.454   6.775   1.576
   58   1H5*    A   6          1H5*        A   6   6.927   7.444  -1.077
   59   2H5*    A   6          2H5*        A   6   5.858   7.880  -2.425
   60    H4*    A   6           H4*        A   6   5.823   5.679  -2.768
   61    H3*    A   6           H3*        A   6   3.548   6.332  -1.251
   62    H1*    A   6           H1*        A   6   5.729   3.200  -1.132
   63    H8     A   6           H8         A   6   5.842   5.104   2.264
   64   1H6     A   6          1H6         A   6   8.606  -0.008   4.408
   65   2H6     A   6          2H6         A   6   7.998   1.578   4.826
   66    H2     A   6           H2         A   6   7.824  -0.577   0.024
   67   1H2*    A   6          1H2*        A   6   4.082   5.055   0.665
   68   2H2*    A   6          2H2*        A   6   3.509   3.731  -0.339
   69   1H5*    G   7          1H5*        G   7   5.454   2.259  -1.937
   70   2H5*    G   7          2H5*        G   7   4.845   2.823  -3.507
   71    H4*    G   7           H4*        G   7   5.369   0.746  -4.150
   72    H3*    G   7           H3*        G   7   2.721   0.824  -3.930
   73    H1*    G   7           H1*        G   7   4.585  -1.996  -1.790
   74    H8     G   7           H8         G   7   3.217   1.150  -0.027
   75    H1     G   7           H1         G   7   6.375  -3.008   3.713
   76   1H2     G   7          1H2         G   7   7.212  -4.630   2.482
   77   2H2     G   7          2H2         G   7   6.990  -4.696   0.750
   78   1H2*    G   7          1H2*        G   7   2.394   0.065  -1.703
   79   2H2*    G   7          2H2*        G   7   2.428  -1.500  -2.504
   80   1H5*    G   8          1H5*        G   8   4.764  -2.809  -4.942
   81   2H5*    G   8          2H5*        G   8   4.469  -3.461  -6.568
   82    H4*    G   8           H4*        G   8   5.227  -5.321  -5.507
   83    H3*    G   8           H3*        G   8   2.605  -5.525  -6.119
   84    H1*    G   8           H1*        G   8   3.830  -6.433  -2.479
   85    H8     G   8           H8         G   8   1.716  -3.235  -2.892
   86    H1     G   8           H1         G   8   3.608  -4.550   3.100
   87   1H2     G   8          1H2         G   8   4.957  -6.291   3.106
   88   2H2     G   8          2H2         G   8   5.399  -7.135   1.640
   89   1H2*    G   8          1H2*        G   8   1.622  -5.036  -4.019
   90   2H2*    G   8          2H2*        G   8   1.899  -6.755  -3.777
   91   1H5*    G   9          1H5*        G   9   4.479  -7.723  -3.148
   92   2H5*    G   9          2H5*        G   9   4.999  -9.244  -3.900
   93    H4*    G   9           H4*        G   9   5.268  -9.845  -1.755
   94    H3*    G   9           H3*        G   9   3.034 -11.049  -2.715
   95    H1*    G   9           H1*        G   9   3.203  -9.483   0.739
   96    H8     G   9           H8         G   9   1.128  -7.170  -1.589
   97    H1     G   9           H1         G   9   0.910  -5.843   4.688
   98   1H2     G   9          1H2         G   9   2.224  -7.244   5.791
   99   2H2     G   9          2H2         G   9   3.137  -8.497   4.980
  100   1H2*    G   9          1H2*        G   9   1.442  -9.502  -1.771
  101   2H2*    G   9          2H2*        G   9   1.521 -10.729  -0.515
  102   1H5*    C  10          1H5*        C  10   4.803 -11.739   1.275
  103   2H5*    C  10          2H5*        C  10   5.343 -13.431   1.319
  104    H4*    C  10           H4*        C  10   5.423 -12.805   3.531
  105    H3*    C  10           H3*        C  10   3.717 -14.802   3.042
  106    H1*    C  10           H1*        C  10   2.399 -11.713   5.106
  107   1H4     C  10          1H4         C  10  -1.912  -8.056   2.268
  108   2H4     C  10          2H4         C  10  -1.531  -8.709   0.690
  109    H5     C  10           H5         C  10   0.157 -10.407   0.342
  110    H6     C  10           H6         C  10   1.822 -11.813   1.434
  111   1H2*    C  10          1H2*        C  10   1.676 -13.585   2.833
  112   2H2*    C  10          2H2*        C  10   1.658 -13.883   4.567
  113   1H5*    C  11          1H5*        C  11   2.478 -12.766   7.066
  114   2H5*    C  11          2H5*        C  11   3.028 -14.045   8.166
  115    H4*    C  11           H4*        C  11   1.210 -13.479   9.317
  116    H3*    C  11           H3*        C  11   0.545 -15.675   7.697
  117    H1*    C  11           H1*        C  11  -1.729 -12.549   8.452
  118   1H4     C  11          1H4         C  11  -3.838  -9.535   3.286
  119   2H4     C  11          2H4         C  11  -2.968 -10.624   2.226
  120    H5     C  11           H5         C  11  -1.571 -12.420   3.045
  121    H6     C  11           H6         C  11  -0.685 -13.504   5.034
  122   1H2*    C  11          1H2*        C  11  -1.190 -14.759   6.442
  123   2H2*    C  11          2H2*        C  11  -2.105 -14.808   7.943
  124   1H5*    A  12          1H5*        A  12  -1.172 -12.552  10.244
  125   2H5*    A  12          2H5*        A  12  -1.247 -13.575  11.693
  126    H4*    A  12           H4*        A  12  -2.396 -11.555  12.164
  127    H3*    A  12           H3*        A  12  -3.609 -13.850  12.730
  128    H1*    A  12           H1*        A  12  -5.590 -11.273  10.544
  129    H8     A  12           H8         A  12  -3.643 -13.899   8.435
  130   1H6     A  12          1H6         A  12  -7.276 -12.011   3.779
  131   2H6     A  12          2H6         A  12  -5.969 -13.084   4.234
  132    H2     A  12           H2         A  12  -8.389  -9.693   7.453
  133   1H2*    A  12          1H2*        A  12  -4.766 -14.197  10.657
  134   2H2*    A  12          2H2*        A  12  -6.009 -13.366  11.584
  135   1H5*    C  13          1H5*        C  13  -6.428  -9.648  12.621
  136   2H5*    C  13          2H5*        C  13  -7.139  -9.939  14.222
  137    H4*    C  13           H4*        C  13  -8.672  -8.722  12.816
  138    H3*    C  13           H3*        C  13  -9.469 -10.842  14.306
  139    H1*    C  13           H1*        C  13 -10.575 -10.408  10.637
  140   1H4     C  13          1H4         C  13  -8.801 -14.506   6.149
  141   2H4     C  13          2H4         C  13  -7.671 -15.301   7.222
  142    H5     C  13           H5         C  13  -7.330 -14.611   9.521
  143    H6     C  13           H6         C  13  -7.978 -13.003  11.236
  144   1H2*    C  13          1H2*        C  13  -9.480 -12.501  12.579
  145   2H2*    C  13          2H2*        C  13 -11.127 -11.900  12.445
  146   1H5*    A  14          1H5*        A  14 -12.496  -8.381  12.095
  147   2H5*    A  14          2H5*        A  14 -13.681  -7.673  13.211
  148    H4*    A  14           H4*        A  14 -14.858  -7.743  11.253
  149    H3*    A  14           H3*        A  14 -15.843  -9.412  13.162
  150    H1*    A  14           H1*        A  14 -15.468 -10.532   9.456
  151    H8     A  14           H8         A  14 -12.921 -12.198  11.863
  152   1H6     A  14          1H6         A  14 -11.425 -15.741   7.015
  153   2H6     A  14          2H6         A  14 -11.134 -15.426   8.711
  154    H2     A  14           H2         A  14 -14.514 -12.774   5.669
  155   1H2*    A  14          1H2*        A  14 -15.035 -11.484  12.320
  156   2H2*    A  14          2H2*        A  14 -16.536 -11.380  11.414
  157   1H5*    G  15          1H5*        G  15 -17.833  -8.525   9.494
  158   2H5*    G  15          2H5*        G  15 -19.466  -7.830   9.474
  159    H4*    G  15           H4*        G  15 -19.331  -8.831   7.416
  160    H3*    G  15           H3*        G  15 -21.181  -9.947   9.070
  161    H1*    G  15           H1*        G  15 -18.869 -12.041   6.844
  162    H8     G  15           H8         G  15 -17.706 -12.217  10.548
  163    H1     G  15           H1         G  15 -15.107 -16.503   6.534
  164   1H2     G  15          1H2         G  15 -15.875 -16.181   4.490
  165   2H2     G  15          2H2         G  15 -17.033 -14.923   4.117
  166    H3T    G  15           H3T        G  15 -21.554  -9.435   6.925
  167   1H2*    G  15          1H2*        G  15 -19.932 -11.880   9.711
  168   2H2*    G  15          2H2*        G  15 -20.757 -12.499   8.288
  169   1H5*    C  16          1H5*        C  16 -15.008 -23.580   2.957
  170   2H5*    C  16          2H5*        C  16 -13.262 -23.625   2.653
  171    H4*    C  16           H4*        C  16 -14.937 -22.003   1.365
  172    H3*    C  16           H3*        C  16 -12.299 -22.237   1.184
  173    H1*    C  16           H1*        C  16 -13.705 -18.855   2.475
  174   1H4     C  16          1H4         C  16 -13.423 -17.367   8.625
  175   2H4     C  16          2H4         C  16 -12.259 -18.642   8.918
  176    H5     C  16           H5         C  16 -11.597 -20.236   7.219
  177    H6     C  16           H6         C  16 -11.882 -20.899   4.890
  178    H5T    C  16           H5T        C  16 -12.882 -22.665   4.514
  179   1H2*    C  16          1H2*        C  16 -11.701 -21.037   3.187
  180   2H2*    C  16          2H2*        C  16 -11.558 -19.777   1.968
  181   1H5*    T  17          1H5*        T  17 -14.378 -19.065  -1.300
  182   2H5*    T  17          2H5*        T  17 -13.640 -18.220  -2.676
  183    H4*    T  17           H4*        T  17 -14.970 -16.739  -1.258
  184    H3*    T  17           H3*        T  17 -12.378 -16.158  -2.187
  185   1H2*    T  17          1H2*        T  17 -11.325 -15.929  -0.089
  186   2H2*    T  17          2H2*        T  17 -12.139 -14.372  -0.093
  187    H1*    T  17           H1*        T  17 -14.030 -15.201   1.148
  188    H3     T  17           H3         T  17 -12.480 -15.276   5.330
  189   1H5M    T  17          1H5M        T  17 -10.046 -19.215   4.267
  190   2H5M    T  17          2H5M        T  17  -8.859 -18.019   3.698
  191   3H5M    T  17          3H5M        T  17  -9.759 -19.007   2.524
  192    H6     T  17           H6         T  17 -11.304 -17.705   1.397
  193   1H5*    G  18          1H5*        G  18 -15.413 -13.082  -1.405
  194   2H5*    G  18          2H5*        G  18 -15.689 -11.786  -2.587
  195    H4*    G  18           H4*        G  18 -16.126 -10.767  -0.565
  196    H3*    G  18           H3*        G  18 -13.993  -9.753  -1.938
  197    H1*    G  18           H1*        G  18 -14.015 -10.271   1.858
  198    H8     G  18           H8         G  18 -12.008 -13.144   0.188
  199    H1     G  18           H1         G  18 -10.773 -12.064   6.397
  200   1H2     G  18          1H2         G  18 -11.966 -10.359   7.118
  201   2H2     G  18          2H2         G  18 -13.073  -9.490   6.079
  202   1H2*    G  18          1H2*        G  18 -12.256 -10.713  -0.610
  203   2H2*    G  18          2H2*        G  18 -12.521  -9.217   0.275
  204   1H5*    T  19          1H5*        T  19 -14.371  -8.963   2.762
  205   2H5*    T  19          2H5*        T  19 -15.448  -7.679   2.176
  206    H4*    T  19           H4*        T  19 -14.978  -6.851   4.226
  207    H3*    T  19           H3*        T  19 -13.828  -5.314   2.401
  208   1H2*    T  19          1H2*        T  19 -11.674  -6.322   2.226
  209   2H2*    T  19          2H2*        T  19 -11.339  -5.187   3.529
  210    H1*    T  19           H1*        T  19 -11.392  -6.822   5.183
  211    H3     T  19           H3         T  19  -8.635 -10.303   4.781
  212   1H5M    T  19          1H5M        T  19  -9.090 -10.050   0.116
  213   2H5M    T  19          2H5M        T  19 -10.597 -10.961   0.376
  214   3H5M    T  19          3H5M        T  19 -10.665  -9.247  -0.096
  215    H6     T  19           H6         T  19 -11.586  -8.124   1.744
  216   1H5*    G  20          1H5*        G  20 -12.627  -5.117   6.360
  217   2H5*    G  20          2H5*        G  20 -12.882  -3.692   7.386
  218    H4*    G  20           H4*        G  20 -11.113  -4.617   8.444
  219    H3*    G  20           H3*        G  20 -10.326  -2.403   6.889
  220    H1*    G  20           H1*        G  20  -8.432  -5.614   7.708
  221    H8     G  20           H8         G  20  -9.325  -5.554   3.926
  222    H1     G  20           H1         G  20  -4.567  -9.507   5.653
  223   1H2     G  20          1H2         G  20  -4.190  -9.333   7.820
  224   2H2     G  20          2H2         G  20  -5.104  -8.242   8.840
  225   1H2*    G  20          1H2*        G  20  -8.820  -3.552   5.474
  226   2H2*    G  20          2H2*        G  20  -7.768  -3.440   6.879
  227   1H5*    G  21          1H5*        G  21  -7.426  -5.429   9.484
  228   2H5*    G  21          2H5*        G  21  -7.784  -4.197  10.713
  229    H4*    G  21           H4*        G  21  -5.872  -5.061  11.571
  230    H3*    G  21           H3*        G  21  -5.463  -2.562  10.678
  231    H1*    G  21           H1*        G  21  -2.962  -5.372   9.677
  232    H8     G  21           H8         G  21  -5.234  -4.174   6.797
  233    H1     G  21           H1         G  21  -0.994  -8.754   5.298
  234   1H2     G  21          1H2         G  21   0.060  -9.432   7.109
  235   2H2     G  21          2H2         G  21  -0.272  -8.760   8.692
  236   1H2*    G  21          1H2*        G  21  -4.583  -3.070   8.515
  237   2H2*    G  21          2H2*        G  21  -3.092  -3.003   9.445
  238   1H5*    C  22          1H5*        C  22  -2.452  -6.288  11.025
  239   2H5*    C  22          2H5*        C  22  -2.162  -5.568  12.623
  240    H4*    C  22           H4*        C  22  -0.415  -7.095  12.273
  241    H3*    C  22           H3*        C  22   0.296  -4.611  12.881
  242    H1*    C  22           H1*        C  22   1.818  -6.080   9.491
  243   1H4     C  22          1H4         C  22  -0.954  -3.967   4.215
  244   2H4     C  22          2H4         C  22  -1.781  -2.706   5.096
  245    H5     C  22           H5         C  22  -1.697  -2.517   7.510
  246    H6     C  22           H6         C  22  -0.756  -3.466   9.549
  247   1H2*    C  22          1H2*        C  22   0.551  -3.645  10.725
  248   2H2*    C  22          2H2*        C  22   2.178  -4.279  10.922
  249   1H5*    C  23          1H5*        C  23   2.547  -6.999  10.457
  250   2H5*    C  23          2H5*        C  23   3.664  -7.919  11.484
  251    H4*    C  23           H4*        C  23   4.640  -8.405   9.542
  252    H3*    C  23           H3*        C  23   6.045  -6.300  10.690
  253    H1*    C  23           H1*        C  23   5.227  -6.714   6.924
  254   1H4     C  23          1H4         C  23   2.117  -2.079   3.927
  255   2H4     C  23          2H4         C  23   1.609  -1.348   5.432
  256    H5     C  23           H5         C  23   2.219  -2.244   7.599
  257    H6     C  23           H6         C  23   3.422  -4.024   8.755
  258   1H2*    C  23          1H2*        C  23   5.533  -4.613   9.120
  259   2H2*    C  23          2H2*        C  23   6.789  -5.420   8.190
  260   1H5*    C  24          1H5*        C  24   8.714  -9.730   8.597
  261   2H5*    C  24          2H5*        C  24  10.464  -9.518   8.810
  262    H4*    C  24           H4*        C  24   9.632 -10.023   6.476
  263    H3*    C  24           H3*        C  24  11.863  -8.660   7.169
  264    H1*    C  24           H1*        C  24   9.403  -7.292   4.560
  265   1H4     C  24          1H4         C  24   6.104  -1.970   5.469
  266   2H4     C  24          2H4         C  24   6.536  -1.910   7.164
  267    H5     C  24           H5         C  24   7.921  -3.580   8.232
  268    H6     C  24           H6         C  24   9.165  -5.652   7.899
  269   1H2*    C  24          1H2*        C  24  10.946  -6.443   7.061
  270   2H2*    C  24          2H2*        C  24  11.556  -6.625   5.423
  271   1H5*    T  25          1H5*        T  25  10.154  -8.325   2.599
  272   2H5*    T  25          2H5*        T  25  11.515  -9.299   2.007
  273    H4*    T  25           H4*        T  25  10.918  -8.113   0.144
  274    H3*    T  25           H3*        T  25  13.393  -7.503   1.031
  275   1H2*    T  25          1H2*        T  25  12.884  -5.480   2.200
  276   2H2*    T  25          2H2*        T  25  13.222  -4.832   0.601
  277    H1*    T  25           H1*        T  25  10.909  -4.694   0.011
  278    H3     T  25           H3         T  25   8.758  -1.550   2.337
  279   1H5M    T  25          1H5M        T  25  10.435  -2.983   6.356
  280   2H5M    T  25          2H5M        T  25  11.097  -4.598   6.001
  281   3H5M    T  25          3H5M        T  25  12.117  -3.153   5.797
  282    H6     T  25           H6         T  25  11.702  -5.087   3.592
  283   1H5*    G  26          1H5*        G  26  11.781  -5.959  -2.847
  284   2H5*    G  26          2H5*        G  26  12.893  -6.077  -4.228
  285    H4*    G  26           H4*        G  26  11.425  -4.334  -4.741
  286    H3*    G  26           H3*        G  26  14.112  -3.735  -4.579
  287    H1*    G  26           H1*        G  26  11.264  -1.460  -3.329
  288    H8     G  26           H8         G  26  12.896  -3.278  -0.320
  289    H1     G  26           H1         G  26  10.032   2.319   0.985
  290   1H2     G  26          1H2         G  26   9.278   3.232  -0.874
  291   2H2     G  26          2H2         G  26   9.475   2.467  -2.434
  292   1H2*    G  26          1H2*        G  26  14.068  -2.431  -2.597
  293   2H2*    G  26          2H2*        G  26  13.611  -1.180  -3.744
  294   1H5*    A  27          1H5*        A  27  11.197  -0.349  -4.638
  295   2H5*    A  27          2H5*        A  27  11.062  -0.637  -6.383
  296    H4*    A  27           H4*        A  27  10.103   1.374  -6.378
  297    H3*    A  27           H3*        A  27  12.543   1.744  -7.355
  298    H1*    A  27           H1*        A  27  11.636   3.912  -4.077
  299    H8     A  27           H8         A  27  13.605   0.574  -3.787
  300   1H6     A  27          1H6         A  27  14.439   2.214   2.125
  301   2H6     A  27          2H6         A  27  14.796   1.014   0.902
  302    H2     A  27           H2         A  27  11.904   5.348   0.155
  303   1H2*    A  27          1H2*        A  27  13.788   2.331  -5.427
  304   2H2*    A  27          2H2*        A  27  13.173   3.933  -5.804
  305   1H5*    G  28          1H5*        G  28  10.512   5.569  -6.243
  306   2H5*    G  28          2H5*        G  28  10.634   6.902  -7.409
  307    H4*    G  28           H4*        G  28  10.900   7.860  -5.290
  308    H3*    G  28           H3*        G  28  13.073   8.029  -7.086
  309    H1*    G  28           H1*        G  28  13.028   7.790  -3.274
  310    H8     G  28           H8         G  28  14.576   4.564  -4.794
  311    H1     G  28           H1         G  28  15.939   5.736   1.371
  312   1H2     G  28          1H2         G  28  14.970   7.614   2.012
  313   2H2     G  28          2H2         G  28  13.997   8.578   0.922
  314   1H2*    G  28          1H2*        G  28  14.670   6.943  -5.719
  315   2H2*    G  28          2H2*        G  28  14.686   8.493  -4.890
  316   1H5*    C  29          1H5*        C  29  12.058  10.536  -3.874
  317   2H5*    C  29          2H5*        C  29  11.783  12.281  -4.068
  318    H4*    C  29           H4*        C  29  12.225  12.047  -1.814
  319    H3*    C  29           H3*        C  29  14.015  13.565  -3.197
  320    H1*    C  29           H1*        C  29  15.047  11.059  -0.500
  321   1H4     C  29          1H4         C  29  18.959   6.240  -1.740
  322   2H4     C  29          2H4         C  29  18.404   6.129  -3.397
  323    H5     C  29           H5         C  29  16.758   7.636  -4.339
  324    H6     C  29           H6         C  29  15.309   9.544  -3.882
  325   1H2*    C  29          1H2*        C  29  15.778  11.946  -3.337
  326   2H2*    C  29          2H2*        C  29  16.189  12.732  -1.818
  327   1H5*    C  30          1H5*        C  30  14.729  14.609   1.673
  328   2H5*    C  30          2H5*        C  30  14.987  16.358   1.510
  329    H4*    C  30           H4*        C  30  16.552  15.344   3.071
  330    H3*    C  30           H3*        C  30  17.278  17.203   1.232
  331    H1*    C  30           H1*        C  30  19.370  14.015   1.842
  332   1H4     C  30          1H4         C  30  20.012   9.627  -2.679
  333   2H4     C  30          2H4         C  30  18.945  10.494  -3.761
  334    H5     C  30           H5         C  30  17.842  12.555  -3.147
  335    H6     C  30           H6         C  30  17.521  14.194  -1.369
  336    H3T    C  30           H3T        C  30  19.280  17.213   2.465
  337   1H2*    C  30          1H2*        C  30  18.223  15.744  -0.403
  338   2H2*    C  30          2H2*        C  30  19.644  16.047   0.588
  339   1H    ASP  10          1H        ASP  10  -4.447  15.864   7.675
  340    HA   ASP  10           HA       ASP  10  -7.048  16.126   8.963
  341   1HB   ASP  10          1HB       ASP  10  -7.653  18.157   7.717
  342   2HB   ASP  10          2HB       ASP  10  -6.316  18.447   8.820
  343    H    GLU  11           H        GLU  11  -5.385  14.447   6.951
  344    HA   GLU  11           HA       GLU  11  -7.205  14.497   4.680
  345   1HB   GLU  11          1HB       GLU  11  -4.792  12.752   5.183
  346   2HB   GLU  11          2HB       GLU  11  -5.727  12.794   3.704
  347   1HG   GLU  11          1HG       GLU  11  -3.766  14.042   3.320
  348   2HG   GLU  11          2HG       GLU  11  -5.091  15.194   3.461
  349    H    LEU  12           H        LEU  12  -8.531  12.861   4.121
  350    HA   LEU  12           HA       LEU  12  -8.671  10.473   5.804
  351   1HB   LEU  12          1HB       LEU  12 -11.044  12.170   4.993
  352   2HB   LEU  12          2HB       LEU  12 -11.163  10.568   5.689
  353    HG   LEU  12           HG       LEU  12  -9.954  12.954   7.091
  354   1HD1  LEU  12          1HD1      LEU  12 -11.987  12.929   8.446
  355   2HD1  LEU  12          2HD1      LEU  12 -12.648  11.644   7.436
  356   3HD1  LEU  12          3HD1      LEU  12 -12.350  13.241   6.749
  357   1HD2  LEU  12          1HD2      LEU  12  -9.029  10.822   7.832
  358   2HD2  LEU  12          2HD2      LEU  12 -10.657  10.192   8.082
  359   3HD2  LEU  12          3HD2      LEU  12 -10.065  11.525   9.075
  360    H    CYS  13           H        CYS  13  -9.660   8.665   4.674
  361    HA   CYS  13           HA       CYS  13  -8.886   8.562   1.942
  362   1HB   CYS  13          1HB       CYS  13  -8.869   6.576   3.408
  363   2HB   CYS  13          2HB       CYS  13 -10.624   6.646   3.516
  364    HG   CYS  13           HG       CYS  13  -9.064   6.270   0.504
  365    HA   PRO  14           HA       PRO  14 -12.631  10.620   0.647
  366   1HB   PRO  14          1HB       PRO  14 -11.913  11.009  -1.925
  367   2HB   PRO  14          2HB       PRO  14 -11.245  11.963  -0.598
  368   1HG   PRO  14          1HG       PRO  14 -10.048   9.647  -2.059
  369   2HG   PRO  14          2HG       PRO  14  -9.277  11.146  -1.510
  370   1HD   PRO  14          1HD       PRO  14  -9.080   8.763  -0.184
  371   2HD   PRO  14          2HD       PRO  14  -8.950  10.345   0.608
  372    H    VAL  15           H        VAL  15 -11.925   7.536   0.263
  373    HA   VAL  15           HA       VAL  15 -13.926   7.036  -1.818
  374    HB   VAL  15           HB       VAL  15 -11.924   5.127  -0.591
  375   1HG1  VAL  15          1HG1      VAL  15 -12.656   3.553  -2.325
  376   2HG1  VAL  15          2HG1      VAL  15 -13.911   4.691  -2.816
  377   3HG1  VAL  15          3HG1      VAL  15 -13.962   3.960  -1.211
  378   1HG2  VAL  15          1HG2      VAL  15 -10.880   6.765  -2.052
  379   2HG2  VAL  15          2HG2      VAL  15 -12.034   6.381  -3.329
  380   3HG2  VAL  15          3HG2      VAL  15 -10.869   5.168  -2.800
  381    H    CYS  16           H        CYS  16 -12.977   5.804   1.407
  382    HA   CYS  16           HA       CYS  16 -15.753   4.893   1.743
  383   1HB   CYS  16          1HB       CYS  16 -14.773   3.289   3.405
  384   2HB   CYS  16          2HB       CYS  16 -14.244   3.042   1.743
  385    HG   CYS  16           HG       CYS  16 -12.416   3.331   4.374
  386    H    GLY  17           H        GLY  17 -13.516   7.163   2.904
  387   1HA   GLY  17          1HA       GLY  17 -13.898   8.798   4.513
  388   2HA   GLY  17          2HA       GLY  17 -15.323   7.917   5.036
  389    H    ASP  18           H        ASP  18 -12.262   6.296   4.760
  390    HA   ASP  18           HA       ASP  18 -12.143   6.066   7.675
  391   1HB   ASP  18          1HB       ASP  18 -10.835   4.507   5.449
  392   2HB   ASP  18          2HB       ASP  18 -10.298   4.363   7.120
  393    H    LYS  19           H        LYS  19  -9.830   6.033   8.587
  394    HA   LYS  19           HA       LYS  19  -8.626   8.555   7.987
  395   1HB   LYS  19          1HB       LYS  19  -7.706   6.290   9.764
  396   2HB   LYS  19          2HB       LYS  19  -6.916   7.857   9.667
  397   1HG   LYS  19          1HG       LYS  19  -8.966   8.936  10.459
  398   2HG   LYS  19          2HG       LYS  19  -9.742   7.354  10.575
  399   1HD   LYS  19          1HD       LYS  19  -7.262   8.186  12.081
  400   2HD   LYS  19          2HD       LYS  19  -8.895   8.170  12.749
  401   1HE   LYS  19          1HE       LYS  19  -7.415   5.771  11.672
  402   2HE   LYS  19          2HE       LYS  19  -7.614   6.168  13.377
  403   1HZ   LYS  19          1HZ       LYS  19  -9.219   4.517  12.684
  404   2HZ   LYS  19          2HZ       LYS  19  -9.804   5.540  11.467
  405   3HZ   LYS  19          3HZ       LYS  19 -10.016   5.958  13.097
  406    H    VAL  20           H        VAL  20  -6.511   8.934   7.196
  407    HA   VAL  20           HA       VAL  20  -5.824   7.171   5.040
  408    HB   VAL  20           HB       VAL  20  -4.063   8.809   4.507
  409   1HG1  VAL  20          1HG1      VAL  20  -5.551  10.683   3.986
  410   2HG1  VAL  20          2HG1      VAL  20  -6.760  10.021   5.084
  411   3HG1  VAL  20          3HG1      VAL  20  -6.303   9.128   3.633
  412   1HG2  VAL  20          1HG2      VAL  20  -3.462   9.493   6.770
  413   2HG2  VAL  20          2HG2      VAL  20  -5.040  10.256   6.970
  414   3HG2  VAL  20          3HG2      VAL  20  -3.896  10.893   5.788
  415    H    SER  21           H        SER  21  -3.946   6.020   4.748
  416    HA   SER  21           HA       SER  21  -2.322   5.574   7.156
  417   1HB   SER  21          1HB       SER  21  -2.508   3.849   4.671
  418   2HB   SER  21          2HB       SER  21  -1.740   3.425   6.201
  419    HG   SER  21           HG       SER  21  -3.964   3.804   7.105
  420    H    GLY  22           H        GLY  22  -2.329   7.522   4.657
  421   1HA   GLY  22          1HA       GLY  22  -0.291   8.878   4.383
  422   2HA   GLY  22          2HA       GLY  22   0.587   7.362   4.235
  423    H    TYR  23           H        TYR  23   1.152   8.880   2.257
  424    HA   TYR  23           HA       TYR  23  -0.556   8.984   0.036
  425   1HB   TYR  23          1HB       TYR  23   2.392   9.096   0.447
  426   2HB   TYR  23          2HB       TYR  23   1.814   8.790  -1.184
  427    HD1  TYR  23           HD1      TYR  23   0.721  10.502  -2.455
  428    HD2  TYR  23           HD2      TYR  23   1.941  11.239   1.553
  429    HE1  TYR  23           HE1      TYR  23   0.421  12.914  -2.814
  430    HE2  TYR  23           HE2      TYR  23   1.640  13.654   1.206
  431    HH   TYR  23           HH       TYR  23   0.190  14.927  -1.723
  432    H    HIS  24           H        HIS  24  -1.457   7.346  -1.044
  433    HA   HIS  24           HA       HIS  24   0.174   4.953  -1.523
  434   1HB   HIS  24          1HB       HIS  24  -2.694   4.972  -0.585
  435   2HB   HIS  24          2HB       HIS  24  -1.915   3.563  -1.293
  436    HD1  HIS  24           HD1      HIS  24   0.842   4.306   0.358
  437    HD2  HIS  24           HD2      HIS  24  -2.970   3.586   1.841
  438    HE1  HIS  24           HE1      HIS  24   1.174   3.514   2.718
  439    HE2  HIS  24           HE2      HIS  24  -1.119   2.770   3.452
  440    H    TYR  25           H        TYR  25   0.506   4.951  -3.611
  441    HA   TYR  25           HA       TYR  25   0.112   4.578  -5.806
  442   1HB   TYR  25          1HB       TYR  25  -2.806   4.652  -5.023
  443   2HB   TYR  25          2HB       TYR  25  -2.225   4.275  -6.641
  444    HD1  TYR  25           HD1      TYR  25  -0.819   2.225  -6.983
  445    HD2  TYR  25           HD2      TYR  25  -2.829   3.006  -3.315
  446    HE1  TYR  25           HE1      TYR  25  -0.570  -0.136  -6.350
  447    HE2  TYR  25           HE2      TYR  25  -2.585   0.645  -2.672
  448    HH   TYR  25           HH       TYR  25  -0.521  -1.497  -4.325
  449    H    GLY  26           H        GLY  26  -2.197   6.996  -4.574
  450   1HA   GLY  26          1HA       GLY  26  -1.005   8.993  -6.314
  451   2HA   GLY  26          2HA       GLY  26  -2.666   8.570  -6.699
  452    H    LEU  27           H        LEU  27  -3.579   8.172  -4.044
  453    HA   LEU  27           HA       LEU  27  -3.422  10.919  -2.985
  454   1HB   LEU  27          1HB       LEU  27  -5.769   9.013  -2.960
  455   2HB   LEU  27          2HB       LEU  27  -5.723  10.527  -2.086
  456    HG   LEU  27           HG       LEU  27  -5.413  11.648  -4.366
  457   1HD1  LEU  27          1HD1      LEU  27  -6.330  10.374  -6.267
  458   2HD1  LEU  27          2HD1      LEU  27  -6.347   8.925  -5.259
  459   3HD1  LEU  27          3HD1      LEU  27  -4.815   9.700  -5.665
  460   1HD2  LEU  27          1HD2      LEU  27  -7.494  11.640  -2.996
  461   2HD2  LEU  27          2HD2      LEU  27  -8.020  10.202  -3.882
  462   3HD2  LEU  27          3HD2      LEU  27  -7.780  11.731  -4.733
  463    H    LEU  28           H        LEU  28  -4.154  10.941  -0.596
  464    HA   LEU  28           HA       LEU  28  -2.751   8.871   0.839
  465   1HB   LEU  28          1HB       LEU  28  -4.356  11.238   1.821
  466   2HB   LEU  28          2HB       LEU  28  -3.532  10.108   2.874
  467    HG   LEU  28           HG       LEU  28  -1.404  10.782   1.544
  468   1HD1  LEU  28          1HD1      LEU  28  -2.533  12.029  -0.207
  469   2HD1  LEU  28          2HD1      LEU  28  -1.454  13.077   0.711
  470   3HD1  LEU  28          3HD1      LEU  28  -3.193  13.139   0.991
  471   1HD2  LEU  28          1HD2      LEU  28  -1.760  11.260   3.899
  472   2HD2  LEU  28          2HD2      LEU  28  -2.735  12.670   3.480
  473   3HD2  LEU  28          3HD2      LEU  28  -1.015  12.639   3.090
  474    H    THR  29           H        THR  29  -3.702   6.964   0.938
  475    HA   THR  29           HA       THR  29  -6.588   6.858   1.498
  476    HB   THR  29           HB       THR  29  -6.644   4.721   0.225
  477    HG1  THR  29           HG1      THR  29  -4.520   4.966  -1.296
  478   1HG2  THR  29          1HG2      THR  29  -5.650   7.109  -1.348
  479   2HG2  THR  29          2HG2      THR  29  -7.323   6.798  -0.879
  480   3HG2  THR  29          3HG2      THR  29  -6.513   5.723  -2.020
  481    H    CYS  30           H        CYS  30  -7.177   4.608   2.406
  482    HA   CYS  30           HA       CYS  30  -5.373   4.129   4.647
  483   1HB   CYS  30          1HB       CYS  30  -7.336   2.837   5.552
  484   2HB   CYS  30          2HB       CYS  30  -7.649   4.548   5.277
  485    HG   CYS  30           HG       CYS  30  -9.937   3.100   4.585
  486    H    GLU  31           H        GLU  31  -4.788   1.984   5.285
  487    HA   GLU  31           HA       GLU  31  -4.000   0.216   3.283
  488   1HB   GLU  31          1HB       GLU  31  -4.555  -0.293   6.209
  489   2HB   GLU  31          2HB       GLU  31  -3.824  -1.482   5.140
  490   1HG   GLU  31          1HG       GLU  31  -2.696   1.210   5.872
  491   2HG   GLU  31          2HG       GLU  31  -2.124  -0.363   6.426
  492    H    SER  32           H        SER  32  -7.054   0.561   4.893
  493    HA   SER  32           HA       SER  32  -8.223  -1.911   4.348
  494   1HB   SER  32          1HB       SER  32  -9.711   0.712   4.249
  495   2HB   SER  32          2HB       SER  32 -10.295  -0.856   4.808
  496    HG   SER  32           HG       SER  32  -8.549  -0.615   6.466
  497    H    CYS  33           H        CYS  33  -8.166   1.068   2.383
  498    HA   CYS  33           HA       CYS  33  -9.516  -0.259   0.200
  499   1HB   CYS  33          1HB       CYS  33  -8.365   2.516   0.479
  500   2HB   CYS  33          2HB       CYS  33  -9.130   1.928  -0.997
  501    HG   CYS  33           HG       CYS  33 -10.572   3.454   1.379
  502    H    LYS  34           H        LYS  34  -6.235   0.800   0.969
  503    HA   LYS  34           HA       LYS  34  -4.991   0.173  -1.443
  504   1HB   LYS  34          1HB       LYS  34  -3.712   1.268   0.219
  505   2HB   LYS  34          2HB       LYS  34  -4.054   0.028   1.415
  506   1HG   LYS  34          1HG       LYS  34  -2.595  -1.518   0.341
  507   2HG   LYS  34          2HG       LYS  34  -2.400  -0.450  -1.051
  508   1HD   LYS  34          1HD       LYS  34  -1.091   1.064   0.141
  509   2HD   LYS  34          2HD       LYS  34  -1.656   0.469   1.701
  510   1HE   LYS  34          1HE       LYS  34   0.046  -1.134  -0.197
  511   2HE   LYS  34          2HE       LYS  34   0.693  -0.164   1.127
  512   1HZ   LYS  34          1HZ       LYS  34   0.477  -2.428   1.833
  513   2HZ   LYS  34          2HZ       LYS  34  -1.149  -2.478   1.372
  514   3HZ   LYS  34          3HZ       LYS  34  -0.670  -1.496   2.668
  515    H    GLY  35           H        GLY  35  -5.701  -1.958   1.319
  516   1HA   GLY  35          1HA       GLY  35  -4.674  -4.322   0.135
  517   2HA   GLY  35          2HA       GLY  35  -5.809  -4.247   1.476
  518    H    PHE  36           H        PHE  36  -7.972  -3.017   0.353
  519    HA   PHE  36           HA       PHE  36  -9.314  -5.054  -1.000
  520   1HB   PHE  36          1HB       PHE  36 -10.548  -3.351   0.173
  521   2HB   PHE  36          2HB       PHE  36  -9.877  -2.087  -0.849
  522    HD1  PHE  36           HD1      PHE  36 -12.085  -5.064  -0.885
  523    HD2  PHE  36           HD2      PHE  36 -10.951  -1.448  -2.825
  524    HE1  PHE  36           HE1      PHE  36 -14.012  -5.274  -2.399
  525    HE2  PHE  36           HE2      PHE  36 -12.876  -1.653  -4.341
  526    HZ   PHE  36           HZ       PHE  36 -14.410  -3.567  -4.129
  527    H    PHE  37           H        PHE  37  -7.732  -2.154  -2.255
  528    HA   PHE  37           HA       PHE  37  -8.438  -2.424  -4.941
  529   1HB   PHE  37          1HB       PHE  37  -7.357  -0.424  -3.856
  530   2HB   PHE  37          2HB       PHE  37  -5.835  -1.304  -3.884
  531    HD1  PHE  37           HD1      PHE  37  -8.563  -0.175  -6.146
  532    HD2  PHE  37           HD2      PHE  37  -4.426  -1.055  -5.692
  533    HE1  PHE  37           HE1      PHE  37  -8.139   0.671  -8.416
  534    HE2  PHE  37           HE2      PHE  37  -3.995  -0.211  -7.963
  535    HZ   PHE  37           HZ       PHE  37  -5.854   0.654  -9.327
  536    H    LYS  38           H        LYS  38  -5.501  -3.522  -3.248
  537    HA   LYS  38           HA       LYS  38  -4.317  -4.823  -5.422
  538   1HB   LYS  38          1HB       LYS  38  -4.031  -4.960  -2.479
  539   2HB   LYS  38          2HB       LYS  38  -3.403  -6.322  -3.395
  540   1HG   LYS  38          1HG       LYS  38  -2.056  -4.750  -4.740
  541   2HG   LYS  38          2HG       LYS  38  -2.632  -3.434  -3.719
  542   1HD   LYS  38          1HD       LYS  38  -0.402  -4.288  -3.050
  543   2HD   LYS  38          2HD       LYS  38  -1.613  -4.435  -1.774
  544   1HE   LYS  38          1HE       LYS  38  -0.285  -6.464  -1.913
  545   2HE   LYS  38          2HE       LYS  38  -1.955  -6.787  -2.382
  546   1HZ   LYS  38          1HZ       LYS  38  -1.236  -6.601  -4.719
  547   2HZ   LYS  38          2HZ       LYS  38  -0.489  -7.883  -3.903
  548   3HZ   LYS  38          3HZ       LYS  38   0.367  -6.451  -4.203
  549    H    ARG  39           H        ARG  39  -6.534  -6.105  -2.954
  550    HA   ARG  39           HA       ARG  39  -6.585  -8.769  -3.752
  551   1HB   ARG  39          1HB       ARG  39  -8.779  -7.031  -2.620
  552   2HB   ARG  39          2HB       ARG  39  -8.961  -8.761  -2.870
  553   1HG   ARG  39          1HG       ARG  39  -6.859  -7.494  -1.132
  554   2HG   ARG  39          2HG       ARG  39  -8.388  -8.157  -0.550
  555   1HD   ARG  39          1HD       ARG  39  -7.749 -10.351  -1.483
  556   2HD   ARG  39          2HD       ARG  39  -6.197  -9.667  -1.970
  557    HE   ARG  39           HE       ARG  39  -6.471  -9.180   0.743
  558   1HH1  ARG  39          1HH1      ARG  39  -6.292 -11.972  -1.362
  559   2HH1  ARG  39          2HH1      ARG  39  -5.524 -12.983  -0.170
  560   1HH2  ARG  39          1HH2      ARG  39  -5.487 -10.508   2.322
  561   2HH2  ARG  39          2HH2      ARG  39  -5.073 -12.152   1.928
  562    H    THR  40           H        THR  40  -8.397  -6.017  -4.977
  563    HA   THR  40           HA       THR  40 -10.023  -7.493  -6.769
  564    HB   THR  40           HB       THR  40  -9.305  -4.558  -6.844
  565    HG1  THR  40           HG1      THR  40 -10.246  -4.913  -4.878
  566   1HG2  THR  40          1HG2      THR  40 -11.438  -4.307  -8.022
  567   2HG2  THR  40          2HG2      THR  40 -11.668  -6.055  -7.982
  568   3HG2  THR  40          3HG2      THR  40 -10.340  -5.361  -8.912
  569    H    VAL  41           H        VAL  41  -7.186  -5.389  -7.331
  570    HA   VAL  41           HA       VAL  41  -7.134  -5.761 -10.116
  571    HB   VAL  41           HB       VAL  41  -4.766  -4.897  -9.968
  572   1HG1  VAL  41          1HG1      VAL  41  -6.930  -3.329  -8.564
  573   2HG1  VAL  41          2HG1      VAL  41  -6.674  -3.415 -10.307
  574   3HG1  VAL  41          3HG1      VAL  41  -5.467  -2.649  -9.276
  575   1HG2  VAL  41          1HG2      VAL  41  -5.429  -4.710  -7.043
  576   2HG2  VAL  41          2HG2      VAL  41  -4.011  -4.022  -7.833
  577   3HG2  VAL  41          3HG2      VAL  41  -4.223  -5.772  -7.766
  578    H    GLN  42           H        GLN  42  -5.394  -7.446  -7.544
  579    HA   GLN  42           HA       GLN  42  -3.669  -8.843  -9.310
  580   1HB   GLN  42          1HB       GLN  42  -4.328  -9.081  -6.410
  581   2HB   GLN  42          2HB       GLN  42  -3.369 -10.330  -7.191
  582   1HG   GLN  42          1HG       GLN  42  -2.677  -7.402  -7.221
  583   2HG   GLN  42          2HG       GLN  42  -2.029  -8.561  -6.061
  584   1HE2  GLN  42          1HE2      GLN  42   0.094  -8.331  -6.750
  585   2HE2  GLN  42          2HE2      GLN  42   0.648  -8.909  -8.286
  586    H    ASN  43           H        ASN  43  -6.905  -9.503  -8.207
  587    HA   ASN  43           HA       ASN  43  -6.653 -12.220  -9.307
  588   1HB   ASN  43          1HB       ASN  43  -8.748 -11.075  -7.451
  589   2HB   ASN  43          2HB       ASN  43  -8.813 -12.691  -8.144
  590   1HD2  ASN  43          1HD2      ASN  43  -7.406 -10.653  -5.765
  591   2HD2  ASN  43          2HD2      ASN  43  -6.506 -11.881  -4.937
  592    H    ASN  44           H        ASN  44  -7.450  -9.254 -10.315
  593    HA   ASN  44           HA       ASN  44  -8.631  -8.406 -12.071
  594   1HB   ASN  44          1HB       ASN  44  -8.657 -11.335 -12.798
  595   2HB   ASN  44          2HB       ASN  44  -9.450 -10.128 -13.796
  596   1HD2  ASN  44          1HD2      ASN  44  -6.492  -9.488 -12.068
  597   2HD2  ASN  44          2HD2      ASN  44  -5.473  -9.394 -13.466
  598    H    LYS  45           H        LYS  45  -9.947  -8.679  -9.704
  599    HA   LYS  45           HA       LYS  45 -12.388 -10.146  -9.991
  600   1HB   LYS  45          1HB       LYS  45 -11.488  -8.169  -7.894
  601   2HB   LYS  45          2HB       LYS  45 -12.950  -9.132  -7.802
  602   1HG   LYS  45          1HG       LYS  45 -11.529 -11.176  -7.929
  603   2HG   LYS  45          2HG       LYS  45 -10.117 -10.126  -7.799
  604   1HD   LYS  45          1HD       LYS  45 -10.659 -11.005  -5.620
  605   2HD   LYS  45          2HD       LYS  45 -11.000  -9.275  -5.648
  606   1HE   LYS  45          1HE       LYS  45 -12.767 -10.558  -4.515
  607   2HE   LYS  45          2HE       LYS  45 -13.365  -9.712  -5.940
  608   1HZ   LYS  45          1HZ       LYS  45 -13.305 -11.760  -7.180
  609   2HZ   LYS  45          2HZ       LYS  45 -14.199 -12.001  -5.759
  610   3HZ   LYS  45          3HZ       LYS  45 -12.610 -12.587  -5.871
  611    H    HIS  46           H        HIS  46 -13.886  -9.466 -11.340
  612    HA   HIS  46           HA       HIS  46 -14.521  -6.609 -11.443
  613   1HB   HIS  46          1HB       HIS  46 -15.079  -8.907 -13.310
  614   2HB   HIS  46          2HB       HIS  46 -15.939  -7.384 -13.437
  615    HD1  HIS  46           HD1      HIS  46 -14.928  -5.816 -15.067
  616    HD2  HIS  46           HD2      HIS  46 -12.096  -8.376 -13.411
  617    HE1  HIS  46           HE1      HIS  46 -12.760  -5.257 -16.203
  618    HE2  HIS  46           HE2      HIS  46 -11.032  -6.669 -15.045
  619    H    TYR  47           H        TYR  47 -16.049  -6.036 -10.067
  620    HA   TYR  47           HA       TYR  47 -17.855  -8.040  -8.991
  621   1HB   TYR  47          1HB       TYR  47 -17.576  -5.126  -8.232
  622   2HB   TYR  47          2HB       TYR  47 -18.409  -6.378  -7.317
  623    HD1  TYR  47           HD1      TYR  47 -17.079  -8.192  -6.226
  624    HD2  TYR  47           HD2      TYR  47 -15.235  -4.819  -8.048
  625    HE1  TYR  47           HE1      TYR  47 -14.999  -8.675  -5.006
  626    HE2  TYR  47           HE2      TYR  47 -13.154  -5.292  -6.835
  627    HH   TYR  47           HH       TYR  47 -12.313  -6.458  -5.000
  628    H    THR  48           H        THR  48 -20.104  -6.758  -8.365
  629    HA   THR  48           HA       THR  48 -21.154  -5.533 -10.800
  630    HB   THR  48           HB       THR  48 -21.496  -7.989 -11.032
  631    HG1  THR  48           HG1      THR  48 -23.822  -7.807 -11.386
  632   1HG2  THR  48          1HG2      THR  48 -23.128  -9.115  -9.590
  633   2HG2  THR  48          2HG2      THR  48 -23.240  -7.668  -8.588
  634   3HG2  THR  48          3HG2      THR  48 -21.726  -8.568  -8.671
  635    H    CYS  49           H        CYS  49 -23.294  -4.560 -10.460
  636    HA   CYS  49           HA       CYS  49 -24.105  -4.229  -7.680
  637   1HB   CYS  49          1HB       CYS  49 -22.445  -2.443  -8.102
  638   2HB   CYS  49          2HB       CYS  49 -23.414  -1.881  -9.460
  639    HG   CYS  49           HG       CYS  49 -24.979  -2.056  -6.477
  640    H    THR  50           H        THR  50 -26.236  -3.384  -7.451
  641    HA   THR  50           HA       THR  50 -27.921  -4.018  -9.735
  642    HB   THR  50           HB       THR  50 -29.785  -3.709  -8.056
  643    HG1  THR  50           HG1      THR  50 -28.202  -2.406  -6.661
  644   1HG2  THR  50          1HG2      THR  50 -29.312  -5.805  -6.868
  645   2HG2  THR  50          2HG2      THR  50 -27.622  -5.702  -7.361
  646   3HG2  THR  50          3HG2      THR  50 -28.883  -5.922  -8.575
  647    H    GLU  51           H        GLU  51 -30.015  -2.605  -9.778
  648    HA   GLU  51           HA       GLU  51 -31.066  -0.668 -10.249
  649   1HB   GLU  51          1HB       GLU  51 -29.014   0.558  -8.399
  650   2HB   GLU  51          2HB       GLU  51 -30.461   1.367  -8.988
  651   1HG   GLU  51          1HG       GLU  51 -31.865  -0.225  -7.835
  652   2HG   GLU  51          2HG       GLU  51 -30.448  -1.137  -7.317
  653    H    SER  52           H        SER  52 -27.960   0.945  -9.880
  654    HA   SER  52           HA       SER  52 -27.682   1.166 -12.777
  655   1HB   SER  52          1HB       SER  52 -27.467   3.658 -12.567
  656   2HB   SER  52          2HB       SER  52 -29.092   3.050 -12.242
  657    HG   SER  52           HG       SER  52 -28.948   3.814 -10.298
  658    H    GLN  53           H        GLN  53 -26.276   0.388 -10.007
  659    HA   GLN  53           HA       GLN  53 -24.146   0.193  -9.247
  660   1HB   GLN  53          1HB       GLN  53 -23.368   1.350 -11.931
  661   2HB   GLN  53          2HB       GLN  53 -22.265   0.604 -10.785
  662   1HG   GLN  53          1HG       GLN  53 -23.249  -1.527 -11.088
  663   2HG   GLN  53          2HG       GLN  53 -24.602  -0.846 -11.991
  664   1HE2  GLN  53          1HE2      GLN  53 -21.336   0.247 -12.471
  665   2HE2  GLN  53          2HE2      GLN  53 -21.111  -0.455 -14.036
  666    H    SER  54           H        SER  54 -25.703   2.985  -9.611
  667    HA   SER  54           HA       SER  54 -23.512   4.783  -8.972
  668   1HB   SER  54          1HB       SER  54 -26.465   5.382  -9.274
  669   2HB   SER  54          2HB       SER  54 -25.161   6.565  -9.175
  670    HG   SER  54           HG       SER  54 -24.311   5.454 -11.115
  671    H    CYS  55           H        CYS  55 -23.193   3.456  -6.991
  672    HA   CYS  55           HA       CYS  55 -24.983   4.296  -4.818
  673   1HB   CYS  55          1HB       CYS  55 -22.913   2.091  -4.784
  674   2HB   CYS  55          2HB       CYS  55 -24.120   2.428  -3.546
  675    HG   CYS  55           HG       CYS  55 -26.289   1.818  -5.281
  676    H    LYS  56           H        LYS  56 -23.875   4.729  -2.729
  677    HA   LYS  56           HA       LYS  56 -21.420   6.281  -3.221
  678   1HB   LYS  56          1HB       LYS  56 -23.602   6.638  -1.157
  679   2HB   LYS  56          2HB       LYS  56 -22.076   7.508  -1.106
  680   1HG   LYS  56          1HG       LYS  56 -23.652   8.971  -2.070
  681   2HG   LYS  56          2HG       LYS  56 -22.631   8.406  -3.388
  682   1HD   LYS  56          1HD       LYS  56 -24.762   8.272  -4.294
  683   2HD   LYS  56          2HD       LYS  56 -24.471   6.624  -3.744
  684   1HE   LYS  56          1HE       LYS  56 -26.016   8.718  -2.215
  685   2HE   LYS  56          2HE       LYS  56 -26.737   7.451  -3.201
  686   1HZ   LYS  56          1HZ       LYS  56 -25.145   7.098  -0.722
  687   2HZ   LYS  56          2HZ       LYS  56 -25.631   5.819  -1.720
  688   3HZ   LYS  56          3HZ       LYS  56 -26.795   6.771  -0.939
  689    H    ILE  57           H        ILE  57 -19.672   6.054  -1.814
  690    HA   ILE  57           HA       ILE  57 -19.765   3.555  -0.277
  691    HB   ILE  57           HB       ILE  57 -17.344   5.065  -1.276
  692   1HG1  ILE  57          1HG1      ILE  57 -18.590   4.157  -3.145
  693   2HG1  ILE  57          2HG1      ILE  57 -17.156   3.170  -2.885
  694   1HG2  ILE  57          1HG2      ILE  57 -16.094   3.060  -0.670
  695   2HG2  ILE  57          2HG2      ILE  57 -17.568   2.317  -0.049
  696   3HG2  ILE  57          3HG2      ILE  57 -16.902   3.746   0.741
  697   1HD1  ILE  57          1HD1      ILE  57 -19.952   2.488  -2.002
  698   2HD1  ILE  57          2HD1      ILE  57 -18.516   1.499  -1.732
  699   3HD1  ILE  57          3HD1      ILE  57 -19.091   1.791  -3.375
  700    H    ASP  58           H        ASP  58 -19.797   3.638   1.818
  701    HA   ASP  58           HA       ASP  58 -18.672   5.938   3.248
  702   1HB   ASP  58          1HB       ASP  58 -21.171   6.191   2.916
  703   2HB   ASP  58          2HB       ASP  58 -21.383   4.726   3.865
  704    H    LYS  59           H        LYS  59 -19.034   5.251   5.789
  705    HA   LYS  59           HA       LYS  59 -17.185   3.254   6.327
  706   1HB   LYS  59          1HB       LYS  59 -18.047   5.091   7.860
  707   2HB   LYS  59          2HB       LYS  59 -19.432   4.059   8.176
  708   1HG   LYS  59          1HG       LYS  59 -17.951   3.727   9.967
  709   2HG   LYS  59          2HG       LYS  59 -17.788   2.300   8.941
  710   1HD   LYS  59          1HD       LYS  59 -15.611   3.151   9.728
  711   2HD   LYS  59          2HD       LYS  59 -15.753   3.195   7.969
  712   1HE   LYS  59          1HE       LYS  59 -16.229   5.559   8.023
  713   2HE   LYS  59          2HE       LYS  59 -16.258   5.550   9.785
  714   1HZ   LYS  59          1HZ       LYS  59 -13.849   4.743   8.268
  715   2HZ   LYS  59          2HZ       LYS  59 -13.963   5.224   9.890
  716   3HZ   LYS  59          3HZ       LYS  59 -14.159   6.366   8.652
  717    H    THR  60           H        THR  60 -20.714   3.087   6.300
  718    HA   THR  60           HA       THR  60 -20.685   0.267   6.952
  719    HB   THR  60           HB       THR  60 -22.435   1.605   7.946
  720    HG1  THR  60           HG1      THR  60 -22.847  -0.644   6.923
  721   1HG2  THR  60          1HG2      THR  60 -23.384   2.190   5.144
  722   2HG2  THR  60          2HG2      THR  60 -22.584   3.343   6.211
  723   3HG2  THR  60          3HG2      THR  60 -24.169   2.696   6.638
  724    H    GLN  61           H        GLN  61 -20.784   2.216   4.093
  725    HA   GLN  61           HA       GLN  61 -21.992   0.052   2.544
  726   1HB   GLN  61          1HB       GLN  61 -21.305   2.877   1.724
  727   2HB   GLN  61          2HB       GLN  61 -22.118   1.695   0.708
  728   1HG   GLN  61          1HG       GLN  61 -23.952   1.602   2.373
  729   2HG   GLN  61          2HG       GLN  61 -23.150   2.889   3.268
  730   1HE2  GLN  61          1HE2      GLN  61 -23.141   4.966   2.441
  731   2HE2  GLN  61          2HE2      GLN  61 -24.195   5.459   1.164
  732    H    ARG  62           H        ARG  62 -18.996   0.643   3.548
  733    HA   ARG  62           HA       ARG  62 -17.520   0.573   1.114
  734   1HB   ARG  62          1HB       ARG  62 -15.551   0.244   2.511
  735   2HB   ARG  62          2HB       ARG  62 -16.566   1.522   3.159
  736   1HG   ARG  62          1HG       ARG  62 -17.475  -0.098   4.799
  737   2HG   ARG  62          2HG       ARG  62 -16.329  -1.295   4.191
  738   1HD   ARG  62          1HD       ARG  62 -14.491   0.323   4.744
  739   2HD   ARG  62          2HD       ARG  62 -15.703   1.328   5.538
  740    HE   ARG  62           HE       ARG  62 -15.979  -1.181   6.644
  741   1HH1  ARG  62          1HH1      ARG  62 -13.434   1.238   6.438
  742   2HH1  ARG  62          2HH1      ARG  62 -12.667   0.714   7.905
  743   1HH2  ARG  62          1HH2      ARG  62 -14.956  -1.865   8.546
  744   2HH2  ARG  62          2HH2      ARG  62 -13.514  -1.062   9.100
  745    H    LYS  63           H        LYS  63 -18.817  -1.893   3.237
  746    HA   LYS  63           HA       LYS  63 -17.485  -3.988   1.705
  747   1HB   LYS  63          1HB       LYS  63 -19.282  -4.113   4.128
  748   2HB   LYS  63          2HB       LYS  63 -18.629  -5.528   3.319
  749   1HG   LYS  63          1HG       LYS  63 -16.339  -4.571   3.770
  750   2HG   LYS  63          2HG       LYS  63 -17.137  -3.398   4.816
  751   1HD   LYS  63          1HD       LYS  63 -18.012  -5.148   6.215
  752   2HD   LYS  63          2HD       LYS  63 -17.416  -6.388   5.111
  753   1HE   LYS  63          1HE       LYS  63 -15.113  -5.708   5.599
  754   2HE   LYS  63          2HE       LYS  63 -15.712  -4.472   6.704
  755   1HZ   LYS  63          1HZ       LYS  63 -16.634  -6.172   8.109
  756   2HZ   LYS  63          2HZ       LYS  63 -14.992  -6.516   7.844
  757   3HZ   LYS  63          3HZ       LYS  63 -16.183  -7.391   7.017
  758    H    ARG  64           H        ARG  64 -20.256  -2.179   1.430
  759    HA   ARG  64           HA       ARG  64 -22.083  -4.294   0.748
  760   1HB   ARG  64          1HB       ARG  64 -22.275  -1.296   0.663
  761   2HB   ARG  64          2HB       ARG  64 -23.542  -2.323   0.004
  762   1HG   ARG  64          1HG       ARG  64 -23.813  -3.381   2.199
  763   2HG   ARG  64          2HG       ARG  64 -22.567  -2.314   2.853
  764   1HD   ARG  64          1HD       ARG  64 -24.856  -1.530   3.336
  765   2HD   ARG  64          2HD       ARG  64 -23.920  -0.377   2.389
  766    HE   ARG  64           HE       ARG  64 -25.367  -1.996   0.616
  767   1HH1  ARG  64          1HH1      ARG  64 -25.998   0.387   3.112
  768   2HH1  ARG  64          2HH1      ARG  64 -27.413   1.015   2.328
  769   1HH2  ARG  64          1HH2      ARG  64 -27.233  -1.174  -0.409
  770   2HH2  ARG  64          2HH2      ARG  64 -28.124   0.128   0.330
  771    H    CYS  65           H        CYS  65 -20.883  -1.520  -1.166
  772    HA   CYS  65           HA       CYS  65 -21.198  -3.221  -3.542
  773   1HB   CYS  65          1HB       CYS  65 -21.287  -0.224  -3.231
  774   2HB   CYS  65          2HB       CYS  65 -21.155  -1.014  -4.798
  775    HG   CYS  65           HG       CYS  65 -23.778  -0.316  -4.640
  776    HA   PRO  66           HA       PRO  66 -16.665  -3.018  -3.175
  777   1HB   PRO  66          1HB       PRO  66 -16.844  -5.326  -4.992
  778   2HB   PRO  66          2HB       PRO  66 -16.058  -5.199  -3.415
  779   1HG   PRO  66          1HG       PRO  66 -18.313  -6.619  -3.759
  780   2HG   PRO  66          2HG       PRO  66 -17.988  -5.724  -2.263
  781   1HD   PRO  66          1HD       PRO  66 -19.751  -4.985  -4.570
  782   2HD   PRO  66          2HD       PRO  66 -20.044  -4.805  -2.826
  783    H    PHE  67           H        PHE  67 -18.666  -3.496  -6.052
  784    HA   PHE  67           HA       PHE  67 -16.669  -2.741  -7.922
  785   1HB   PHE  67          1HB       PHE  67 -18.740  -4.039  -8.486
  786   2HB   PHE  67          2HB       PHE  67 -19.668  -2.557  -8.273
  787    HD1  PHE  67           HD1      PHE  67 -16.892  -4.039 -10.234
  788    HD2  PHE  67           HD2      PHE  67 -19.920  -1.056 -10.036
  789    HE1  PHE  67           HE1      PHE  67 -16.441  -3.433 -12.576
  790    HE2  PHE  67           HE2      PHE  67 -19.476  -0.446 -12.376
  791    HZ   PHE  67           HZ       PHE  67 -17.734  -1.634 -13.650
  792    H    CYS  68           H        CYS  68 -19.351  -0.971  -6.407
  793    HA   CYS  68           HA       CYS  68 -18.860   1.506  -7.641
  794   1HB   CYS  68          1HB       CYS  68 -20.021   1.028  -4.886
  795   2HB   CYS  68          2HB       CYS  68 -20.238   2.464  -5.882
  796    HG   CYS  68           HG       CYS  68 -21.989   1.443  -7.623
  797    H    ARG  69           H        ARG  69 -17.601   0.013  -4.711
  798    HA   ARG  69           HA       ARG  69 -16.151   2.266  -3.791
  799   1HB   ARG  69          1HB       ARG  69 -16.749   0.393  -2.331
  800   2HB   ARG  69          2HB       ARG  69 -15.713  -0.678  -3.263
  801   1HG   ARG  69          1HG       ARG  69 -13.757   0.596  -2.584
  802   2HG   ARG  69          2HG       ARG  69 -14.788   1.707  -1.677
  803   1HD   ARG  69          1HD       ARG  69 -15.498  -0.079  -0.221
  804   2HD   ARG  69          2HD       ARG  69 -14.591  -1.255  -1.172
  805    HE   ARG  69           HE       ARG  69 -13.006   0.893  -0.072
  806   1HH1  ARG  69          1HH1      ARG  69 -14.320  -2.304   0.439
  807   2HH1  ARG  69          2HH1      ARG  69 -13.088  -2.772   1.570
  808   1HH2  ARG  69          1HH2      ARG  69 -11.393   0.299   1.433
  809   2HH2  ARG  69          2HH2      ARG  69 -11.420  -1.289   2.133
  810    H    PHE  70           H        PHE  70 -15.291  -0.511  -5.804
  811    HA   PHE  70           HA       PHE  70 -12.561   0.052  -6.090
  812   1HB   PHE  70          1HB       PHE  70 -13.588  -2.089  -6.743
  813   2HB   PHE  70          2HB       PHE  70 -14.444  -1.282  -8.051
  814    HD1  PHE  70           HD1      PHE  70 -10.939  -1.575  -6.795
  815    HD2  PHE  70           HD2      PHE  70 -13.568  -1.550 -10.141
  816    HE1  PHE  70           HE1      PHE  70  -9.034  -2.006  -8.290
  817    HE2  PHE  70           HE2      PHE  70 -11.668  -1.979 -11.641
  818    HZ   PHE  70           HZ       PHE  70  -9.398  -2.209 -10.716
  819    H    GLN  71           H        GLN  71 -15.341   0.977  -8.109
  820    HA   GLN  71           HA       GLN  71 -13.886   2.549  -9.933
  821   1HB   GLN  71          1HB       GLN  71 -16.778   2.665  -9.080
  822   2HB   GLN  71          2HB       GLN  71 -16.112   3.664 -10.364
  823   1HG   GLN  71          1HG       GLN  71 -16.329   0.666 -10.303
  824   2HG   GLN  71          2HG       GLN  71 -17.177   1.791 -11.366
  825   1HE2  GLN  71          1HE2      GLN  71 -16.010   2.841 -13.017
  826   2HE2  GLN  71          2HE2      GLN  71 -14.500   2.215 -13.594
  827    H    LYS  72           H        LYS  72 -15.352   3.288  -6.823
  828    HA   LYS  72           HA       LYS  72 -15.007   6.071  -6.860
  829   1HB   LYS  72          1HB       LYS  72 -16.354   4.779  -5.195
  830   2HB   LYS  72          2HB       LYS  72 -14.855   4.244  -4.455
  831   1HG   LYS  72          1HG       LYS  72 -15.761   6.044  -3.168
  832   2HG   LYS  72          2HG       LYS  72 -14.296   6.608  -3.975
  833   1HD   LYS  72          1HD       LYS  72 -16.791   7.028  -5.472
  834   2HD   LYS  72          2HD       LYS  72 -16.659   7.941  -3.968
  835   1HE   LYS  72          1HE       LYS  72 -14.524   8.860  -4.707
  836   2HE   LYS  72          2HE       LYS  72 -14.622   7.919  -6.194
  837   1HZ   LYS  72          1HZ       LYS  72 -16.474   9.172  -6.917
  838   2HZ   LYS  72          2HZ       LYS  72 -15.326  10.300  -6.375
  839   3HZ   LYS  72          3HZ       LYS  72 -16.665   9.918  -5.406
  840    H    CYS  73           H        CYS  73 -12.834   3.457  -5.866
  841    HA   CYS  73           HA       CYS  73 -10.736   5.047  -4.884
  842   1HB   CYS  73          1HB       CYS  73 -10.578   2.341  -6.242
  843   2HB   CYS  73          2HB       CYS  73  -9.312   3.070  -5.261
  844    HG   CYS  73           HG       CYS  73 -12.393   2.095  -4.129
  845    H    LEU  74           H        LEU  74 -11.314   3.680  -8.119
  846    HA   LEU  74           HA       LEU  74  -9.020   4.768  -9.360
  847   1HB   LEU  74          1HB       LEU  74 -11.672   4.134 -10.635
  848   2HB   LEU  74          2HB       LEU  74 -10.135   4.288 -11.456
  849    HG   LEU  74           HG       LEU  74 -10.851   2.134  -9.471
  850   1HD1  LEU  74          1HD1      LEU  74 -12.066   1.936 -11.546
  851   2HD1  LEU  74          2HD1      LEU  74 -10.817   0.692 -11.450
  852   3HD1  LEU  74          3HD1      LEU  74 -10.572   2.119 -12.461
  853   1HD2  LEU  74          1HD2      LEU  74  -8.413   2.498 -11.202
  854   2HD2  LEU  74          2HD2      LEU  74  -8.759   1.105 -10.177
  855   3HD2  LEU  74          3HD2      LEU  74  -8.473   2.687  -9.450
  856    H    THR  75           H        THR  75 -12.387   5.847  -9.297
  857    HA   THR  75           HA       THR  75 -12.253   8.187 -10.728
  858    HB   THR  75           HB       THR  75 -13.833   7.473  -8.264
  859    HG1  THR  75           HG1      THR  75 -14.186   6.499 -10.464
  860   1HG2  THR  75          1HG2      THR  75 -13.615   9.882  -8.252
  861   2HG2  THR  75          2HG2      THR  75 -15.256   9.430  -8.722
  862   3HG2  THR  75          3HG2      THR  75 -14.104   9.962  -9.949
  863    H    VAL  76           H        VAL  76 -11.439   7.630  -7.343
  864    HA   VAL  76           HA       VAL  76 -11.011  10.305  -6.668
  865    HB   VAL  76           HB       VAL  76 -11.025   7.788  -5.412
  866   1HG1  VAL  76          1HG1      VAL  76  -9.195   7.955  -3.827
  867   2HG1  VAL  76          2HG1      VAL  76  -8.526   9.292  -4.764
  868   3HG1  VAL  76          3HG1      VAL  76  -8.652   7.685  -5.483
  869   1HG2  VAL  76          1HG2      VAL  76 -10.786  10.544  -4.267
  870   2HG2  VAL  76          2HG2      VAL  76 -11.352   9.106  -3.413
  871   3HG2  VAL  76          3HG2      VAL  76 -12.274   9.744  -4.779
  872    H    GLY  77           H        GLY  77  -8.988   7.909  -8.251
  873   1HA   GLY  77          1HA       GLY  77  -7.251   9.247  -9.578
  874   2HA   GLY  77          2HA       GLY  77  -6.718   9.795  -7.999
  875    H    MET  78           H        MET  78  -7.663   6.708  -7.496
  876    HA   MET  78           HA       MET  78  -4.960   5.720  -7.557
  877   1HB   MET  78          1HB       MET  78  -7.556   4.283  -6.945
  878   2HB   MET  78          2HB       MET  78  -5.944   3.623  -6.693
  879   1HG   MET  78          1HG       MET  78  -5.469   5.371  -5.067
  880   2HG   MET  78          2HG       MET  78  -7.066   6.065  -5.334
  881   1HE   MET  78          1HE       MET  78  -6.029   2.273  -5.108
  882   2HE   MET  78          2HE       MET  78  -6.328   1.938  -3.402
  883   3HE   MET  78          3HE       MET  78  -5.035   3.043  -3.870
  884    H    ARG  79           H        ARG  79  -4.019   4.766  -9.251
  885    HA   ARG  79           HA       ARG  79  -5.679   4.335 -11.613
  886   1HB   ARG  79          1HB       ARG  79  -2.664   4.359 -11.418
  887   2HB   ARG  79          2HB       ARG  79  -3.628   4.436 -12.887
  888   1HG   ARG  79          1HG       ARG  79  -3.508   6.538 -10.735
  889   2HG   ARG  79          2HG       ARG  79  -2.727   6.614 -12.315
  890   1HD   ARG  79          1HD       ARG  79  -4.854   6.652 -13.427
  891   2HD   ARG  79          2HD       ARG  79  -5.702   6.366 -11.907
  892    HE   ARG  79           HE       ARG  79  -4.065   8.781 -12.127
  893   1HH1  ARG  79          1HH1      ARG  79  -7.251   7.313 -12.137
  894   2HH1  ARG  79          2HH1      ARG  79  -8.077   8.804 -11.775
  895   1HH2  ARG  79          1HH2      ARG  79  -5.151  10.735 -11.632
  896   2HH2  ARG  79          2HH2      ARG  79  -6.884  10.740 -11.493
  897    H    LEU  80           H        LEU  80  -5.575   2.463 -12.866
  898    HA   LEU  80           HA       LEU  80  -5.347   0.020 -11.421
  899   1HB   LEU  80          1HB       LEU  80  -5.634   0.571 -14.375
  900   2HB   LEU  80          2HB       LEU  80  -5.748  -1.021 -13.651
  901    HG   LEU  80           HG       LEU  80  -7.591   1.243 -12.910
  902   1HD1  LEU  80          1HD1      LEU  80  -8.029  -0.953 -14.929
  903   2HD1  LEU  80          2HD1      LEU  80  -7.783   0.754 -15.301
  904   3HD1  LEU  80          3HD1      LEU  80  -9.220   0.242 -14.411
  905   1HD2  LEU  80          1HD2      LEU  80  -8.990  -0.575 -12.065
  906   2HD2  LEU  80          2HD2      LEU  80  -7.407  -0.571 -11.285
  907   3HD2  LEU  80          3HD2      LEU  80  -7.764  -1.748 -12.550
  908    H    GLU  81           H        GLU  81  -3.365   1.720 -13.746
  909    HA   GLU  81           HA       GLU  81  -1.379  -0.371 -13.886
  910   1HB   GLU  81          1HB       GLU  81  -0.160   1.221 -15.310
  911   2HB   GLU  81          2HB       GLU  81  -1.830   1.031 -15.826
  912   1HG   GLU  81          1HG       GLU  81  -2.272   3.118 -14.373
  913   2HG   GLU  81          2HG       GLU  81  -0.529   3.351 -14.474
  914    H    ALA  82           H        ALA  82  -2.125   1.587 -11.443
  915    HA   ALA  82           HA       ALA  82   0.559   2.483 -10.771
  916   1HB   ALA  82          1HB       ALA  82  -2.008   2.742  -9.207
  917   2HB   ALA  82          2HB       ALA  82  -1.336   3.958 -10.295
  918   3HB   ALA  82          3HB       ALA  82  -0.471   3.518  -8.821
  919    H    VAL  83           H        VAL  83  -1.493  -0.196 -10.189
  920    HA   VAL  83           HA       VAL  83   0.008  -1.021  -7.828
  921    HB   VAL  83           HB       VAL  83  -2.316  -1.395  -7.551
  922   1HG1  VAL  83          1HG1      VAL  83  -3.042  -1.249  -9.850
  923   2HG1  VAL  83          2HG1      VAL  83  -3.675  -2.718  -9.104
  924   3HG1  VAL  83          3HG1      VAL  83  -2.301  -2.809 -10.207
  925   1HG2  VAL  83          1HG2      VAL  83  -0.849  -3.931  -8.198
  926   2HG2  VAL  83          2HG2      VAL  83  -2.496  -3.939  -7.567
  927   3HG2  VAL  83          3HG2      VAL  83  -1.187  -3.224  -6.614
  928    H    ARG  84           H        ARG  84   1.790  -2.135  -8.058
  929    HA   ARG  84           HA       ARG  84   2.561  -3.422 -10.474
  930   1HB   ARG  84          1HB       ARG  84   4.154  -2.479  -8.801
  931   2HB   ARG  84          2HB       ARG  84   3.709  -3.771  -7.697
  932   1HG   ARG  84          1HG       ARG  84   5.768  -4.362  -8.721
  933   2HG   ARG  84          2HG       ARG  84   4.515  -5.404  -9.400
  934   1HD   ARG  84          1HD       ARG  84   4.403  -4.033 -11.387
  935   2HD   ARG  84          2HD       ARG  84   5.562  -2.894 -10.700
  936    HE   ARG  84           HE       ARG  84   6.727  -5.447 -10.754
  937   1HH1  ARG  84          1HH1      ARG  84   5.691  -2.921 -12.936
  938   2HH1  ARG  84          2HH1      ARG  84   6.839  -3.347 -14.178
  939   1HH2  ARG  84          1HH2      ARG  84   8.236  -6.020 -12.385
  940   2HH2  ARG  84          2HH2      ARG  84   8.276  -5.110 -13.867
  941    H    ALA  85           H        ALA  85   1.400  -5.111 -11.160
  942    HA   ALA  85           HA       ALA  85   0.266  -7.031  -9.330
  943   1HB   ALA  85          1HB       ALA  85  -0.943  -6.372 -11.348
  944   2HB   ALA  85          2HB       ALA  85  -0.619  -8.105 -11.326
  945   3HB   ALA  85          3HB       ALA  85   0.350  -7.039 -12.342
  946    H    ASP  86           H        ASP  86   3.059  -6.714 -11.321
  947    HA   ASP  86           HA       ASP  86   3.932  -9.295 -11.670
  948   1HB   ASP  86          1HB       ASP  86   5.171  -7.605 -12.711
  949   2HB   ASP  86          2HB       ASP  86   5.365  -6.696 -11.219
  950    H    ARG  87           H        ARG  87   5.470  -7.326  -9.148
  951    HA   ARG  87           HA       ARG  87   4.876  -8.774  -6.893
  952   1HB   ARG  87          1HB       ARG  87   5.819 -10.759  -7.917
  953   2HB   ARG  87          2HB       ARG  87   7.288  -9.893  -8.341
  954   1HG   ARG  87          1HG       ARG  87   7.753 -11.288  -6.469
  955   2HG   ARG  87          2HG       ARG  87   7.756  -9.614  -5.918
  956   1HD   ARG  87          1HD       ARG  87   5.477  -9.905  -5.051
  957   2HD   ARG  87          2HD       ARG  87   5.492 -11.586  -5.591
  958    HE   ARG  87           HE       ARG  87   7.571 -10.698  -3.726
  959   1HH1  ARG  87          1HH1      ARG  87   4.603 -12.507  -4.246
  960   2HH1  ARG  87          2HH1      ARG  87   4.808 -13.475  -2.815
  961   1HH2  ARG  87          1HH2      ARG  87   7.837 -11.975  -1.864
  962   2HH2  ARG  87          2HH2      ARG  87   6.637 -13.172  -1.453
  963    H    MET  88           H        MET  88   7.426  -7.219  -8.743
  964    HA   MET  88           HA       MET  88   9.166  -6.457  -6.742
  965   1HB   MET  88          1HB       MET  88   8.421  -5.121  -9.328
  966   2HB   MET  88          2HB       MET  88   9.641  -4.441  -8.257
  967   1HG   MET  88          1HG       MET  88   9.718  -7.202  -9.434
  968   2HG   MET  88          2HG       MET  88  10.598  -5.808 -10.058
  969   1HE   MET  88          1HE       MET  88  13.035  -5.035  -7.067
  970   2HE   MET  88          2HE       MET  88  11.428  -4.354  -7.331
  971   3HE   MET  88          3HE       MET  88  12.533  -4.561  -8.691
  972    H    ARG  89           H        ARG  89   8.974  -5.310  -5.014
  973    HA   ARG  89           HA       ARG  89   6.650  -3.685  -4.527
  974   1HB   ARG  89          1HB       ARG  89   9.063  -4.344  -2.836
  975   2HB   ARG  89          2HB       ARG  89   7.721  -3.349  -2.279
  976   1HG   ARG  89          1HG       ARG  89   6.185  -5.187  -2.571
  977   2HG   ARG  89          2HG       ARG  89   7.472  -6.187  -3.243
  978   1HD   ARG  89          1HD       ARG  89   8.619  -6.238  -1.155
  979   2HD   ARG  89          2HD       ARG  89   7.535  -5.026  -0.468
  980    HE   ARG  89           HE       ARG  89   5.747  -6.802  -0.862
  981   1HH1  ARG  89          1HH1      ARG  89   9.079  -7.559  -0.116
  982   2HH1  ARG  89          2HH1      ARG  89   8.698  -9.073   0.645
  983   1HH2  ARG  89          1HH2      ARG  89   5.243  -8.780   0.149
  984   2HH2  ARG  89          2HH2      ARG  89   6.515  -9.751   0.835
  985    H    GLY  90           H        GLY  90   7.533  -2.415  -6.511
  986   1HA   GLY  90          1HA       GLY  90   9.529  -0.429  -5.896
  987   2HA   GLY  90          2HA       GLY  90   8.548  -0.514  -7.353
  988    H    GLY  91           H        GLY  91   9.111   1.167  -4.545
  989   1HA   GLY  91          1HA       GLY  91   6.677   2.056  -3.620
  990   2HA   GLY  91          2HA       GLY  91   8.124   3.052  -3.682
  991    H    ARG  92           H        ARG  92   8.552   3.469  -6.297
  992    HA   ARG  92           HA       ARG  92   6.003   4.489  -7.359
  993   1HB   ARG  92          1HB       ARG  92   8.710   5.797  -7.702
  994   2HB   ARG  92          2HB       ARG  92   7.190   6.373  -8.368
  995   1HG   ARG  92          1HG       ARG  92   8.102   6.366  -5.513
  996   2HG   ARG  92          2HG       ARG  92   7.602   7.729  -6.512
  997   1HD   ARG  92          1HD       ARG  92   5.840   5.530  -5.442
  998   2HD   ARG  92          2HD       ARG  92   5.883   7.200  -4.891
  999    HE   ARG  92           HE       ARG  92   5.160   7.662  -7.334
 1000   1HH1  ARG  92          1HH1      ARG  92   4.242   4.848  -5.463
 1001   2HH1  ARG  92          2HH1      ARG  92   2.647   4.755  -6.143
 1002   1HH2  ARG  92          1HH2      ARG  92   3.058   7.543  -8.246
 1003   2HH2  ARG  92          2HH2      ARG  92   1.965   6.296  -7.724
 1004    H    ASN  93           H        ASN  93   5.501   3.811  -9.339
 1005    HA   ASN  93           HA       ASN  93   7.540   2.300 -10.802
 1006   1HB   ASN  93          1HB       ASN  93   5.406   1.469 -12.070
 1007   2HB   ASN  93          2HB       ASN  93   5.812   0.804 -10.496
 1008   1HD2  ASN  93          1HD2      ASN  93   3.738   0.208 -10.044
 1009   2HD2  ASN  93          2HD2      ASN  93   2.485   1.339  -9.675
 1010    H    LYS  94           H        LYS  94   4.615   4.065 -11.815
 1011    HA   LYS  94           HA       LYS  94   6.238   5.300 -13.941
 1012   1HB   LYS  94          1HB       LYS  94   4.483   3.826 -14.791
 1013   2HB   LYS  94          2HB       LYS  94   3.274   4.702 -13.863
 1014   1HG   LYS  94          1HG       LYS  94   3.823   6.735 -15.189
 1015   2HG   LYS  94          2HG       LYS  94   4.881   5.736 -16.187
 1016   1HD   LYS  94          1HD       LYS  94   1.916   5.338 -15.800
 1017   2HD   LYS  94          2HD       LYS  94   2.692   6.027 -17.224
 1018   1HE   LYS  94          1HE       LYS  94   3.892   3.907 -17.571
 1019   2HE   LYS  94          2HE       LYS  94   3.056   3.226 -16.176
 1020   1HZ   LYS  94          1HZ       LYS  94   0.937   3.728 -17.381
 1021   2HZ   LYS  94          2HZ       LYS  94   1.901   2.521 -18.082
 1022   3HZ   LYS  94          3HZ       LYS  94   1.874   4.079 -18.756
 1023    H    PHE  95           H        PHE  95   3.763   5.826 -11.514
 1024    HA   PHE  95           HA       PHE  95   3.464   8.616 -12.203
 1025   1HB   PHE  95          1HB       PHE  95   2.214   7.017  -9.958
 1026   2HB   PHE  95          2HB       PHE  95   1.738   8.636 -10.465
 1027    HD1  PHE  95           HD1      PHE  95   0.789   8.954 -12.764
 1028    HD2  PHE  95           HD2      PHE  95   1.371   5.113 -11.032
 1029    HE1  PHE  95           HE1      PHE  95  -0.768   7.985 -14.402
 1030    HE2  PHE  95           HE2      PHE  95  -0.184   4.136 -12.666
 1031    HZ   PHE  95           HZ       PHE  95  -1.255   5.573 -14.355
 1032    H    GLY  96           H        GLY  96   5.982   8.367 -11.617
 1033   1HA   GLY  96          1HA       GLY  96   6.608   8.847  -8.856
 1034   2HA   GLY  96          2HA       GLY  96   7.698   9.027 -10.222
 1035    HA   PRO  97           HA       PRO  97   7.515  13.407 -10.460
 1036   1HB   PRO  97          1HB       PRO  97   5.809  14.022 -12.599
 1037   2HB   PRO  97          2HB       PRO  97   7.553  13.771 -12.686
 1038   1HG   PRO  97          1HG       PRO  97   5.331  11.883 -13.286
 1039   2HG   PRO  97          2HG       PRO  97   6.916  12.043 -14.065
 1040   1HD   PRO  97          1HD       PRO  97   6.396  10.039 -12.376
 1041   2HD   PRO  97          2HD       PRO  97   7.989  10.823 -12.408
 1042    H    MET  98           H        MET  98   4.175  12.379 -11.296
 1043    HA   MET  98           HA       MET  98   2.925  14.644 -10.218
 1044   1HB   MET  98          1HB       MET  98   0.846  13.364 -10.278
 1045   2HB   MET  98          2HB       MET  98   1.772  13.123 -11.753
 1046   1HG   MET  98          1HG       MET  98   2.408  10.950 -11.114
 1047   2HG   MET  98          2HG       MET  98   1.877  11.205  -9.453
 1048   1HE   MET  98          1HE       MET  98  -0.623  11.256  -8.675
 1049   2HE   MET  98          2HE       MET  98  -1.998  11.221  -9.780
 1050   3HE   MET  98          3HE       MET  98  -0.910  12.610  -9.769
 1051    H    TYR  99           H        TYR  99   4.052  11.733  -8.726
 1052    HA   TYR  99           HA       TYR  99   2.598  11.939  -6.283
 1053   1HB   TYR  99          1HB       TYR  99   4.111  10.022  -7.487
 1054   2HB   TYR  99          2HB       TYR  99   5.240  10.617  -6.280
 1055    HD1  TYR  99           HD1      TYR  99   1.668   9.550  -6.522
 1056    HD2  TYR  99           HD2      TYR  99   5.258   9.559  -4.242
 1057    HE1  TYR  99           HE1      TYR  99   0.622   8.052  -4.881
 1058    HE2  TYR  99           HE2      TYR  99   4.216   8.066  -2.591
 1059    HH   TYR  99           HH       TYR  99   2.120   7.298  -1.857
 1060    H    LYS 100           H        LYS 100   5.897  12.706  -7.290
 1061    HA   LYS 100           HA       LYS 100   6.779  13.803  -4.857
 1062   1HB   LYS 100          1HB       LYS 100   7.701  14.397  -7.675
 1063   2HB   LYS 100          2HB       LYS 100   8.568  14.838  -6.211
 1064   1HG   LYS 100          1HG       LYS 100   8.842  12.481  -5.651
 1065   2HG   LYS 100          2HG       LYS 100   7.956  12.030  -7.110
 1066   1HD   LYS 100          1HD       LYS 100  10.359  11.851  -7.471
 1067   2HD   LYS 100          2HD       LYS 100   9.670  13.124  -8.481
 1068   1HE   LYS 100          1HE       LYS 100  10.397  14.793  -6.815
 1069   2HE   LYS 100          2HE       LYS 100  11.143  13.501  -5.876
 1070   1HZ   LYS 100          1HZ       LYS 100  12.815  14.539  -7.175
 1071   2HZ   LYS 100          2HZ       LYS 100  11.904  14.406  -8.597
 1072   3HZ   LYS 100          3HZ       LYS 100  12.530  13.015  -7.862
 1073    H    ARG 101           H        ARG 101   5.265  15.251  -7.701
 1074    HA   ARG 101           HA       ARG 101   5.532  17.945  -6.923
 1075   1HB   ARG 101          1HB       ARG 101   4.978  17.151  -9.210
 1076   2HB   ARG 101          2HB       ARG 101   3.358  16.775  -8.637
 1077   1HG   ARG 101          1HG       ARG 101   3.467  18.922  -9.779
 1078   2HG   ARG 101          2HG       ARG 101   2.964  19.099  -8.105
 1079   1HD   ARG 101          1HD       ARG 101   5.263  19.745  -7.517
 1080   2HD   ARG 101          2HD       ARG 101   5.730  19.595  -9.210
 1081    HE   ARG 101           HE       ARG 101   3.548  21.366  -8.992
 1082   1HH1  ARG 101          1HH1      ARG 101   6.974  21.183  -8.290
 1083   2HH1  ARG 101          2HH1      ARG 101   7.226  22.898  -8.391
 1084   1HH2  ARG 101          1HH2      ARG 101   3.861  23.632  -9.101
 1085   2HH2  ARG 101          2HH2      ARG 101   5.454  24.294  -8.845
 1086    H    ASP 102           H        ASP 102   2.886  15.618  -6.438
 1087    HA   ASP 102           HA       ASP 102   1.078  17.418  -5.250
 1088   1HB   ASP 102          1HB       ASP 102   0.566  15.077  -6.101
 1089   2HB   ASP 102          2HB       ASP 102   1.263  14.471  -4.602
 1090    H    ARG 103           H        ARG 103   3.450  15.201  -3.818
 1091    HA   ARG 103           HA       ARG 103   2.912  15.936  -1.139
 1092   1HB   ARG 103          1HB       ARG 103   4.041  13.835  -1.724
 1093   2HB   ARG 103          2HB       ARG 103   5.427  14.739  -2.321
 1094   1HG   ARG 103          1HG       ARG 103   5.859  15.596  -0.092
 1095   2HG   ARG 103          2HG       ARG 103   4.434  14.759   0.523
 1096   1HD   ARG 103          1HD       ARG 103   6.427  13.501   1.057
 1097   2HD   ARG 103          2HD       ARG 103   5.445  12.612  -0.105
 1098    HE   ARG 103           HE       ARG 103   7.265  14.048  -1.600
 1099   1HH1  ARG 103          1HH1      ARG 103   7.427  11.645   0.939
 1100   2HH1  ARG 103          2HH1      ARG 103   8.888  10.925   0.334
 1101   1HH2  ARG 103          1HH2      ARG 103   9.196  13.138  -2.380
 1102   2HH2  ARG 103          2HH2      ARG 103   9.908  11.787  -1.551
 1103    H    ALA 104           H        ALA 104   5.208  17.123  -3.547
 1104    HA   ALA 104           HA       ALA 104   6.771  18.734  -1.883
 1105   1HB   ALA 104          1HB       ALA 104   7.369  18.227  -4.206
 1106   2HB   ALA 104          2HB       ALA 104   7.394  19.962  -3.891
 1107   3HB   ALA 104          3HB       ALA 104   6.042  19.245  -4.766
 1108    H    LEU 105           H        LEU 105   3.857  19.568  -3.748
 1109    HA   LEU 105           HA       LEU 105   3.721  22.246  -2.846
 1110   1HB   LEU 105          1HB       LEU 105   1.511  20.459  -3.868
 1111   2HB   LEU 105          2HB       LEU 105   1.417  22.203  -3.707
 1112    HG   LEU 105           HG       LEU 105   3.217  20.673  -5.584
 1113   1HD1  LEU 105          1HD1      LEU 105   0.887  20.731  -6.285
 1114   2HD1  LEU 105          2HD1      LEU 105   1.886  21.740  -7.330
 1115   3HD1  LEU 105          3HD1      LEU 105   0.864  22.484  -6.101
 1116   1HD2  LEU 105          1HD2      LEU 105   3.916  22.852  -6.415
 1117   2HD2  LEU 105          2HD2      LEU 105   4.324  22.667  -4.708
 1118   3HD2  LEU 105          3HD2      LEU 105   2.937  23.647  -5.182
 1119    H    LYS 106           H        LYS 106   2.397  19.233  -1.672
 1120    HA   LYS 106           HA       LYS 106   0.656  20.258   0.280
 1121   1HB   LYS 106          1HB       LYS 106   0.683  17.913  -0.536
 1122   2HB   LYS 106          2HB       LYS 106   2.181  17.654   0.347
 1123   1HG   LYS 106          1HG       LYS 106   1.052  18.089   2.443
 1124   2HG   LYS 106          2HG       LYS 106  -0.450  18.434   1.581
 1125   1HD   LYS 106          1HD       LYS 106  -0.339  16.118   0.648
 1126   2HD   LYS 106          2HD       LYS 106   1.015  15.810   1.738
 1127   1HE   LYS 106          1HE       LYS 106  -1.063  15.006   2.708
 1128   2HE   LYS 106          2HE       LYS 106  -0.413  16.346   3.652
 1129   1HZ   LYS 106          1HZ       LYS 106  -1.964  17.830   2.494
 1130   2HZ   LYS 106          2HZ       LYS 106  -2.769  16.615   3.358
 1131   3HZ   LYS 106          3HZ       LYS 106  -2.624  16.499   1.670
 1132    H    GLN 107           H        GLN 107   3.997  19.082   0.559
 1133    HA   GLN 107           HA       GLN 107   4.224  19.771   3.321
 1134   1HB   GLN 107          1HB       GLN 107   6.372  19.147   1.284
 1135   2HB   GLN 107          2HB       GLN 107   6.617  19.236   3.022
 1136   1HG   GLN 107          1HG       GLN 107   4.794  17.283   1.636
 1137   2HG   GLN 107          2HG       GLN 107   6.434  16.931   2.175
 1138   1HE2  GLN 107          1HE2      GLN 107   6.209  18.488   4.610
 1139   2HE2  GLN 107          2HE2      GLN 107   5.187  17.580   5.674
 1140    H    GLN 108           H        GLN 108   4.601  21.483   0.378
 1141    HA   GLN 108           HA       GLN 108   6.435  23.467   1.288
 1142   1HB   GLN 108          1HB       GLN 108   5.954  22.830  -1.122
 1143   2HB   GLN 108          2HB       GLN 108   4.462  23.741  -0.965
 1144   1HG   GLN 108          1HG       GLN 108   5.814  25.745  -0.399
 1145   2HG   GLN 108          2HG       GLN 108   7.264  24.803  -0.750
 1146   1HE2  GLN 108          1HE2      GLN 108   7.888  26.072  -2.474
 1147   2HE2  GLN 108          2HE2      GLN 108   7.028  26.105  -3.974
 1148    H    LYS 109           H        LYS 109   5.561  24.135   3.246
 1149    HA   LYS 109           HA       LYS 109   3.492  26.196   2.944
 1150   1HB   LYS 109          1HB       LYS 109   3.761  24.282   5.278
 1151   2HB   LYS 109          2HB       LYS 109   2.668  25.656   5.221
 1152   1HG   LYS 109          1HG       LYS 109   2.564  23.322   3.325
 1153   2HG   LYS 109          2HG       LYS 109   1.580  23.478   4.781
 1154   1HD   LYS 109          1HD       LYS 109   0.590  25.529   3.897
 1155   2HD   LYS 109          2HD       LYS 109   1.589  25.392   2.449
 1156   1HE   LYS 109          1HE       LYS 109  -0.434  23.347   3.349
 1157   2HE   LYS 109          2HE       LYS 109  -0.729  24.583   2.127
 1158   1HZ   LYS 109          1HZ       LYS 109  -0.142  22.426   1.167
 1159   2HZ   LYS 109          2HZ       LYS 109   1.363  22.482   1.944
 1160   3HZ   LYS 109          3HZ       LYS 109   0.979  23.628   0.754
 1161    H    LYS 110           H        LYS 110   4.799  27.947   3.025
 1162    HA   LYS 110           HA       LYS 110   6.196  29.538   3.846
 1163   1HB   LYS 110          1HB       LYS 110   5.046  29.303   5.967
 1164   2HB   LYS 110          2HB       LYS 110   6.013  27.895   6.375
 1165   1HG   LYS 110          1HG       LYS 110   8.029  29.407   6.293
 1166   2HG   LYS 110          2HG       LYS 110   6.896  30.759   6.202
 1167   1HD   LYS 110          1HD       LYS 110   5.882  30.066   8.305
 1168   2HD   LYS 110          2HD       LYS 110   6.971  28.681   8.388
 1169   1HE   LYS 110          1HE       LYS 110   8.880  30.316   8.376
 1170   2HE   LYS 110          2HE       LYS 110   7.686  31.600   8.565
 1171   1HZ   LYS 110          1HZ       LYS 110   6.930  30.501  10.609
 1172   2HZ   LYS 110          2HZ       LYS 110   8.556  30.968  10.704
 1173   3HZ   LYS 110          3HZ       LYS 110   8.155  29.343  10.436
 1174    H    ALA 111           H        ALA 111   8.296  29.811   3.379
 1175    HA   ALA 111           HA       ALA 111   9.985  27.438   3.254
 1176   1HB   ALA 111          1HB       ALA 111  11.521  28.833   1.970
 1177   2HB   ALA 111          2HB       ALA 111  10.511  30.246   2.277
 1178   3HB   ALA 111          3HB       ALA 111   9.891  28.913   1.301
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  29.499   3.334  -0.879
    2   2H5*    G   1          2H5*        G   1  28.705   1.772  -1.147
    3    H4*    G   1           H4*        G   1  28.682   3.037   1.187
    4    H3*    G   1           H3*        G   1  27.476   0.781   0.387
    5    H1*    G   1           H1*        G   1  25.318   3.735   1.662
    6    H8     G   1           H8         G   1  24.743   2.968  -2.028
    7    H1     G   1           H1         G   1  22.176   8.488   0.002
    8   1H2     G   1          1H2         G   1  22.841   8.923   2.054
    9   2H2     G   1          2H2         G   1  23.916   7.859   2.934
   10    H5T    G   1           H5T        G   1  28.273   4.033  -2.413
   11   1H2*    G   1          1H2*        G   1  25.544   1.759  -0.654
   12   2H2*    G   1          2H2*        G   1  24.935   1.474   0.970
   13   1H5*    G   2          1H5*        G   2  26.671   2.087   4.766
   14   2H5*    G   2          2H5*        G   2  25.760   1.102   5.928
   15    H4*    G   2           H4*        G   2  25.032   3.501   5.602
   16    H3*    G   2           H3*        G   2  23.458   1.275   6.209
   17    H1*    G   2           H1*        G   2  22.639   4.230   4.024
   18    H8     G   2           H8         G   2  23.259   1.279   1.577
   19    H1     G   2           H1         G   2  19.538   6.052  -0.578
   20   1H2     G   2          1H2         G   2  19.232   7.543   1.026
   21   2H2     G   2          2H2         G   2  19.942   7.361   2.613
   22   1H2*    G   2          1H2*        G   2  22.310   1.180   4.120
   23   2H2*    G   2          2H2*        G   2  21.318   2.380   4.938
   24   1H5*    C   3          1H5*        C   3  21.815   5.969   6.273
   25   2H5*    C   3          2H5*        C   3  21.545   5.775   8.018
   26    H4*    C   3           H4*        C   3  20.202   7.574   7.304
   27    H3*    C   3           H3*        C   3  19.018   5.601   8.673
   28    H1*    C   3           H1*        C   3  17.393   6.740   5.259
   29   1H4     C   3          1H4         C   3  17.765   2.679   0.417
   30   2H4     C   3          2H4         C   3  18.842   1.617   1.298
   31    H5     C   3           H5         C   3  19.605   2.093   3.548
   32    H6     C   3           H6         C   3  19.499   3.680   5.397
   33   1H2*    C   3          1H2*        C   3  18.147   4.293   6.883
   34   2H2*    C   3          2H2*        C   3  16.798   5.400   7.103
   35   1H5*    T   4          1H5*        T   4  16.378   9.003   7.224
   36   2H5*    T   4          2H5*        T   4  15.183   9.596   8.396
   37    H4*    T   4           H4*        T   4  14.242   9.771   6.230
   38    H3*    T   4           H3*        T   4  12.950   8.240   8.201
   39   1H2*    T   4          1H2*        T   4  12.927   6.168   7.088
   40   2H2*    T   4          2H2*        T   4  11.651   6.913   6.136
   41    H1*    T   4           H1*        T   4  13.123   7.566   4.381
   42    H3     T   4           H3         T   4  14.048   3.817   2.160
   43   1H5M    T   4          1H5M        T   4  16.891   3.282   6.477
   44   2H5M    T   4          2H5M        T   4  15.359   2.586   7.057
   45   3H5M    T   4          3H5M        T   4  16.200   1.855   5.668
   46    H6     T   4           H6         T   4  14.965   5.245   6.616
   47   1H5*    C   5          1H5*        C   5  11.470   9.636   3.941
   48   2H5*    C   5          2H5*        C   5  10.066  10.577   4.492
   49    H4*    C   5           H4*        C   5   9.769  10.063   2.192
   50    H3*    C   5           H3*        C   5   7.767   9.588   3.896
   51    H1*    C   5           H1*        C   5   8.870   6.694   1.492
   52   1H4     C   5          1H4         C   5  11.940   1.726   3.937
   53   2H4     C   5          2H4         C   5  11.873   2.402   5.548
   54    H5     C   5           H5         C   5  10.923   4.574   6.028
   55    H6     C   5           H6         C   5   9.836   6.532   5.064
   56   1H2*    C   5          1H2*        C   5   8.203   7.292   4.397
   57   2H2*    C   5          2H2*        C   5   7.112   7.106   3.033
   58   1H5*    A   6          1H5*        A   6   7.332   8.131  -0.427
   59   2H5*    A   6          2H5*        A   6   5.754   8.556  -1.119
   60    H4*    A   6           H4*        A   6   6.452   6.562  -2.151
   61    H3*    A   6           H3*        A   6   4.019   6.602  -0.865
   62    H1*    A   6           H1*        A   6   6.447   3.679  -0.922
   63    H8     A   6           H8         A   6   6.690   5.334   2.594
   64   1H6     A   6          1H6         A   6   9.144  -0.069   4.360
   65   2H6     A   6          2H6         A   6   8.696   1.541   4.877
   66    H2     A   6           H2         A   6   8.069  -0.379   0.015
   67   1H2*    A   6          1H2*        A   6   4.645   5.243   1.004
   68   2H2*    A   6          2H2*        A   6   4.163   3.994  -0.135
   69   1H5*    G   7          1H5*        G   7   5.148   3.600  -3.933
   70   2H5*    G   7          2H5*        G   7   3.936   3.243  -5.182
   71    H4*    G   7           H4*        G   7   5.373   1.357  -4.931
   72    H3*    G   7           H3*        G   7   2.610   1.106  -4.705
   73    H1*    G   7           H1*        G   7   5.266  -0.794  -2.598
   74    H8     G   7           H8         G   7   3.589   2.045  -0.569
   75    H1     G   7           H1         G   7   6.036  -2.796   2.872
   76   1H2     G   7          1H2         G   7   6.802  -4.365   1.528
   77   2H2     G   7          2H2         G   7   6.715  -4.228  -0.212
   78   1H2*    G   7          1H2*        G   7   2.472   0.423  -2.455
   79   2H2*    G   7          2H2*        G   7   2.968  -1.128  -3.117
   80   1H5*    G   8          1H5*        G   8   5.257  -3.993  -5.619
   81   2H5*    G   8          2H5*        G   8   3.755  -4.013  -6.569
   82    H4*    G   8           H4*        G   8   4.359  -6.074  -5.162
   83    H3*    G   8           H3*        G   8   1.943  -5.279  -6.075
   84    H1*    G   8           H1*        G   8   2.485  -6.199  -2.410
   85    H8     G   8           H8         G   8   1.274  -2.603  -2.670
   86    H1     G   8           H1         G   8   3.486  -4.310   3.111
   87   1H2     G   8          1H2         G   8   4.510  -6.263   2.977
   88   2H2     G   8          2H2         G   8   4.643  -7.144   1.471
   89   1H2*    G   8          1H2*        G   8   1.291  -3.990  -4.163
   90   2H2*    G   8          2H2*        G   8   0.582  -5.550  -3.771
   91   1H5*    G   9          1H5*        G   9   3.475  -7.319  -2.179
   92   2H5*    G   9          2H5*        G   9   3.556  -8.312  -3.649
   93    H4*    G   9           H4*        G   9   4.320  -9.859  -2.240
   94    H3*    G   9           H3*        G   9   1.742 -10.461  -2.756
   95    H1*    G   9           H1*        G   9   2.768 -10.019   1.157
   96    H8     G   9           H8         G   9   0.847  -7.468  -1.001
   97    H1     G   9           H1         G   9   1.187  -6.092   5.257
   98   1H2     G   9          1H2         G   9   2.422  -7.585   6.298
   99   2H2     G   9          2H2         G   9   3.162  -8.933   5.462
  100   1H2*    G   9          1H2*        G   9   0.585  -9.802  -0.835
  101   2H2*    G   9          2H2*        G   9   1.299 -11.231  -0.098
  102   1H5*    C  10          1H5*        C  10   3.457 -12.232   0.536
  103   2H5*    C  10          2H5*        C  10   3.375 -13.960   0.933
  104    H4*    C  10           H4*        C  10   3.044 -12.758   2.931
  105    H3*    C  10           H3*        C  10   1.053 -14.527   2.061
  106    H1*    C  10           H1*        C  10   0.671 -11.240   3.964
  107   1H4     C  10          1H4         C  10  -3.257  -6.695   1.982
  108   2H4     C  10          2H4         C  10  -3.298  -7.331   0.351
  109    H5     C  10           H5         C  10  -2.062  -9.316  -0.316
  110    H6     C  10           H6         C  10  -0.561 -11.079   0.452
  111   1H2*    C  10          1H2*        C  10  -0.676 -12.927   1.786
  112   2H2*    C  10          2H2*        C  10  -0.794 -13.124   3.530
  113   1H5*    C  11          1H5*        C  11   1.546 -12.811   6.513
  114   2H5*    C  11          2H5*        C  11   1.889 -14.441   7.132
  115    H4*    C  11           H4*        C  11   1.349 -13.238   9.030
  116    H3*    C  11           H3*        C  11  -0.256 -15.321   8.538
  117    H1*    C  11           H1*        C  11  -2.009 -11.770   9.097
  118   1H4     C  11          1H4         C  11  -4.559  -9.402   3.823
  119   2H4     C  11          2H4         C  11  -3.827 -10.640   2.827
  120    H5     C  11           H5         C  11  -2.390 -12.368   3.727
  121    H6     C  11           H6         C  11  -1.354 -13.241   5.750
  122   1H2*    C  11          1H2*        C  11  -2.096 -14.296   7.469
  123   2H2*    C  11          2H2*        C  11  -2.601 -14.019   9.128
  124   1H5*    A  12          1H5*        A  12  -1.256 -12.607  11.560
  125   2H5*    A  12          2H5*        A  12  -1.135 -13.081  13.267
  126    H4*    A  12           H4*        A  12  -2.627 -11.391  13.437
  127    H3*    A  12           H3*        A  12  -3.857 -13.846  13.766
  128    H1*    A  12           H1*        A  12  -5.362 -10.831  11.858
  129    H8     A  12           H8         A  12  -4.188 -13.637   9.441
  130   1H6     A  12          1H6         A  12  -7.876 -10.907   5.287
  131   2H6     A  12          2H6         A  12  -6.750 -12.217   5.573
  132    H2     A  12           H2         A  12  -8.187  -8.623   9.142
  133   1H2*    A  12          1H2*        A  12  -5.142 -13.878  11.773
  134   2H2*    A  12          2H2*        A  12  -6.216 -12.883  12.749
  135   1H5*    C  13          1H5*        C  13  -6.040 -10.174  13.575
  136   2H5*    C  13          2H5*        C  13  -6.654  -9.712  15.176
  137    H4*    C  13           H4*        C  13  -8.039  -8.596  13.700
  138    H3*    C  13           H3*        C  13  -9.261 -10.478  15.290
  139    H1*    C  13           H1*        C  13 -10.113  -9.789  11.642
  140   1H4     C  13          1H4         C  13  -9.883 -14.242   7.158
  141   2H4     C  13          2H4         C  13  -8.808 -15.247   8.105
  142    H5     C  13           H5         C  13  -8.035 -14.628  10.317
  143    H6     C  13           H6         C  13  -8.140 -12.924  12.060
  144   1H2*    C  13          1H2*        C  13  -9.662 -12.112  13.590
  145   2H2*    C  13          2H2*        C  13 -11.109 -11.129  13.409
  146   1H5*    A  14          1H5*        A  14 -11.821  -6.904  13.750
  147   2H5*    A  14          2H5*        A  14 -13.007  -6.318  14.933
  148    H4*    A  14           H4*        A  14 -13.994  -6.184  12.793
  149    H3*    A  14           H3*        A  14 -15.268  -7.600  14.786
  150    H1*    A  14           H1*        A  14 -15.130  -8.634  11.084
  151    H8     A  14           H8         A  14 -13.001 -10.994  13.316
  152   1H6     A  14          1H6         A  14 -12.887 -14.718   8.367
  153   2H6     A  14          2H6         A  14 -12.377 -14.521  10.029
  154    H2     A  14           H2         A  14 -15.175 -11.012   7.276
  155   1H2*    A  14          1H2*        A  14 -14.941  -9.788  13.910
  156   2H2*    A  14          2H2*        A  14 -16.387  -9.346  13.012
  157   1H5*    G  15          1H5*        G  15 -16.081  -7.984  10.200
  158   2H5*    G  15          2H5*        G  15 -16.645  -6.391  10.748
  159    H4*    G  15           H4*        G  15 -17.554  -6.329   8.701
  160    H3*    G  15           H3*        G  15 -19.549  -6.712  10.388
  161    H1*    G  15           H1*        G  15 -19.151  -9.525   7.568
  162    H8     G  15           H8         G  15 -17.653 -10.112  11.089
  163    H1     G  15           H1         G  15 -17.212 -15.021   6.977
  164   1H2     G  15          1H2         G  15 -18.022 -14.441   5.012
  165   2H2     G  15          2H2         G  15 -18.687 -12.850   4.710
  166    H3T    G  15           H3T        G  15 -20.137  -5.634   8.654
  167   1H2*    G  15          1H2*        G  15 -19.627  -9.084  10.504
  168   2H2*    G  15          2H2*        G  15 -20.723  -8.845   9.151
  169   1H5*    C  16          1H5*        C  16 -18.032 -22.776   3.314
  170   2H5*    C  16          2H5*        C  16 -16.301 -22.594   2.980
  171    H4*    C  16           H4*        C  16 -18.169 -21.042   1.906
  172    H3*    C  16           H3*        C  16 -15.511 -20.960   1.714
  173    H1*    C  16           H1*        C  16 -17.337 -17.902   3.258
  174   1H4     C  16          1H4         C  16 -16.693 -16.624   9.426
  175   2H4     C  16          2H4         C  16 -16.079 -18.226   9.762
  176    H5     C  16           H5         C  16 -15.791 -19.912   8.055
  177    H6     C  16           H6         C  16 -16.047 -20.409   5.681
  178    H5T    C  16           H5T        C  16 -17.476 -22.521   5.307
  179   1H2*    C  16          1H2*        C  16 -15.042 -19.839   3.790
  180   2H2*    C  16          2H2*        C  16 -15.088 -18.480   2.674
  181   1H5*    T  17          1H5*        T  17 -17.854 -16.824   2.351
  182   2H5*    T  17          2H5*        T  17 -18.005 -16.901   0.583
  183    H4*    T  17           H4*        T  17 -18.342 -14.680   0.945
  184    H3*    T  17           H3*        T  17 -16.081 -15.102  -0.400
  185   1H2*    T  17          1H2*        T  17 -14.508 -15.139   1.392
  186   2H2*    T  17          2H2*        T  17 -14.483 -13.421   1.019
  187    H1*    T  17           H1*        T  17 -15.867 -12.850   2.838
  188    H3     T  17           H3         T  17 -14.208 -13.796   6.873
  189   1H5M    T  17          1H5M        T  17 -13.828 -18.371   5.475
  190   2H5M    T  17          2H5M        T  17 -12.272 -17.702   4.928
  191   3H5M    T  17          3H5M        T  17 -13.520 -18.144   3.737
  192    H6     T  17           H6         T  17 -14.677 -16.341   2.866
  193   1H5*    G  18          1H5*        G  18 -17.325 -10.764   0.183
  194   2H5*    G  18          2H5*        G  18 -16.833  -9.504  -0.967
  195    H4*    G  18           H4*        G  18 -16.676  -8.704   1.304
  196    H3*    G  18           H3*        G  18 -14.540  -8.522  -0.523
  197    H1*    G  18           H1*        G  18 -14.450  -9.056   3.281
  198    H8     G  18           H8         G  18 -13.354 -12.295   1.443
  199    H1     G  18           H1         G  18 -11.275 -11.628   7.481
  200   1H2     G  18          1H2         G  18 -11.934  -9.690   8.296
  201   2H2     G  18          2H2         G  18 -12.890  -8.561   7.363
  202   1H2*    G  18          1H2*        G  18 -12.959  -9.769   0.707
  203   2H2*    G  18          2H2*        G  18 -12.850  -8.293   1.655
  204   1H5*    T  19          1H5*        T  19 -15.296  -6.418   3.011
  205   2H5*    T  19          2H5*        T  19 -15.591  -4.671   2.889
  206    H4*    T  19           H4*        T  19 -15.217  -5.051   5.150
  207    H3*    T  19           H3*        T  19 -13.471  -3.370   3.876
  208   1H2*    T  19          1H2*        T  19 -11.574  -4.809   3.789
  209   2H2*    T  19          2H2*        T  19 -11.340  -4.133   5.396
  210    H1*    T  19           H1*        T  19 -12.389  -5.992   6.487
  211    H3     T  19           H3         T  19  -9.101  -9.007   6.351
  212   1H5M    T  19          1H5M        T  19 -10.798  -8.342   1.293
  213   2H5M    T  19          2H5M        T  19  -9.381  -9.333   1.715
  214   3H5M    T  19          3H5M        T  19 -11.021 -10.000   1.897
  215    H6     T  19           H6         T  19 -11.973  -7.177   3.010
  216   1H5*    G  20          1H5*        G  20 -11.790  -3.734   8.158
  217   2H5*    G  20          2H5*        G  20 -11.878  -2.062   8.748
  218    H4*    G  20           H4*        G  20  -9.803  -2.614   9.454
  219    H3*    G  20           H3*        G  20  -9.694  -0.995   7.147
  220    H1*    G  20           H1*        G  20  -7.352  -3.903   8.176
  221    H8     G  20           H8         G  20  -9.067  -4.336   4.728
  222    H1     G  20           H1         G  20  -4.872  -8.901   6.405
  223   1H2     G  20          1H2         G  20  -4.154  -8.537   8.463
  224   2H2     G  20          2H2         G  20  -4.707  -7.177   9.414
  225   1H2*    G  20          1H2*        G  20  -8.504  -2.456   5.749
  226   2H2*    G  20          2H2*        G  20  -7.133  -2.008   6.753
  227   1H5*    G  21          1H5*        G  21  -7.025  -3.692   9.205
  228   2H5*    G  21          2H5*        G  21  -7.309  -2.366  10.349
  229    H4*    G  21           H4*        G  21  -5.914  -3.629  11.596
  230    H3*    G  21           H3*        G  21  -4.662  -1.400  10.895
  231    H1*    G  21           H1*        G  21  -2.844  -4.819   9.782
  232    H8     G  21           H8         G  21  -5.134  -2.877   7.328
  233    H1     G  21           H1         G  21  -1.748  -7.716   4.813
  234   1H2     G  21          1H2         G  21  -0.587  -8.729   6.387
  235   2H2     G  21          2H2         G  21  -0.636  -8.215   8.059
  236   1H2*    G  21          1H2*        G  21  -3.551  -2.042   8.905
  237   2H2*    G  21          2H2*        G  21  -2.325  -2.577  10.047
  238   1H5*    C  22          1H5*        C  22  -2.148  -5.324  11.466
  239   2H5*    C  22          2H5*        C  22  -1.685  -4.858  13.118
  240    H4*    C  22           H4*        C  22   0.007  -6.289  12.562
  241    H3*    C  22           H3*        C  22   0.901  -3.808  12.923
  242    H1*    C  22           H1*        C  22   1.882  -5.600   9.559
  243   1H4     C  22          1H4         C  22  -1.018  -3.706   4.264
  244   2H4     C  22          2H4         C  22  -1.850  -2.423   5.111
  245    H5     C  22           H5         C  22  -1.671  -2.094   7.502
  246    H6     C  22           H6         C  22  -0.658  -2.929   9.557
  247   1H2*    C  22          1H2*        C  22   0.793  -3.001  10.679
  248   2H2*    C  22          2H2*        C  22   2.443  -3.607  10.702
  249   1H5*    C  23          1H5*        C  23   2.456  -6.697   9.674
  250   2H5*    C  23          2H5*        C  23   3.278  -7.355  11.105
  251    H4*    C  23           H4*        C  23   4.486  -8.420   9.537
  252    H3*    C  23           H3*        C  23   6.014  -6.514  10.589
  253    H1*    C  23           H1*        C  23   5.632  -6.512   6.646
  254   1H4     C  23          1H4         C  23   1.923  -2.015   4.181
  255   2H4     C  23          2H4         C  23   1.570  -1.347   5.759
  256    H5     C  23           H5         C  23   2.438  -2.303   7.814
  257    H6     C  23           H6         C  23   3.776  -4.107   8.761
  258   1H2*    C  23          1H2*        C  23   5.582  -4.719   9.081
  259   2H2*    C  23          2H2*        C  23   6.958  -5.452   8.267
  260   1H5*    C  24          1H5*        C  24   7.474  -9.032   7.409
  261   2H5*    C  24          2H5*        C  24   8.940  -9.994   7.691
  262    H4*    C  24           H4*        C  24   8.845  -9.834   5.395
  263    H3*    C  24           H3*        C  24  11.031  -8.712   6.510
  264    H1*    C  24           H1*        C  24   9.066  -6.879   3.741
  265   1H4     C  24          1H4         C  24   5.918  -1.518   4.922
  266   2H4     C  24          2H4         C  24   6.295  -1.595   6.628
  267    H5     C  24           H5         C  24   7.537  -3.421   7.620
  268    H6     C  24           H6         C  24   8.677  -5.530   7.177
  269   1H2*    C  24          1H2*        C  24  10.302  -6.429   6.497
  270   2H2*    C  24          2H2*        C  24  11.113  -6.513   4.940
  271   1H5*    T  25          1H5*        T  25  10.200  -8.892   2.416
  272   2H5*    T  25          2H5*        T  25  11.250  -9.707   1.237
  273    H4*    T  25           H4*        T  25   9.972  -8.280  -0.051
  274    H3*    T  25           H3*        T  25  12.695  -7.713   0.044
  275   1H2*    T  25          1H2*        T  25  12.592  -5.601   1.101
  276   2H2*    T  25          2H2*        T  25  12.157  -5.068  -0.517
  277    H1*    T  25           H1*        T  25   9.811  -5.128  -0.070
  278    H3     T  25           H3         T  25   9.229  -1.419   2.343
  279   1H5M    T  25          1H5M        T  25  12.244  -4.734   5.311
  280   2H5M    T  25          2H5M        T  25  11.924  -3.045   5.772
  281   3H5M    T  25          3H5M        T  25  10.701  -4.299   6.085
  282    H6     T  25           H6         T  25  11.406  -5.565   3.243
  283   1H5*    G  26          1H5*        G  26  10.538  -5.803  -3.444
  284   2H5*    G  26          2H5*        G  26  11.423  -5.754  -4.982
  285    H4*    G  26           H4*        G  26  10.476  -3.620  -4.626
  286    H3*    G  26           H3*        G  26  13.281  -3.860  -4.882
  287    H1*    G  26           H1*        G  26  11.165  -1.399  -2.928
  288    H8     G  26           H8         G  26  12.992  -3.671  -0.357
  289    H1     G  26           H1         G  26  10.987   2.042   1.792
  290   1H2     G  26          1H2         G  26  10.051   3.172   0.138
  291   2H2     G  26          2H2         G  26   9.927   2.520  -1.479
  292   1H2*    G  26          1H2*        G  26  13.829  -2.911  -2.779
  293   2H2*    G  26          2H2*        G  26  13.492  -1.411  -3.634
  294   1H5*    A  27          1H5*        A  27  10.915  -0.338  -6.014
  295   2H5*    A  27          2H5*        A  27  11.113   0.139  -7.713
  296    H4*    A  27           H4*        A  27  10.398   2.080  -6.709
  297    H3*    A  27           H3*        A  27  12.865   2.245  -7.784
  298    H1*    A  27           H1*        A  27  12.164   3.661  -4.263
  299    H8     A  27           H8         A  27  13.960   0.220  -4.067
  300   1H6     A  27          1H6         A  27  14.891   1.632   1.884
  301   2H6     A  27          2H6         A  27  15.160   0.445   0.625
  302    H2     A  27           H2         A  27  12.585   4.995   0.000
  303   1H2*    A  27          1H2*        A  27  14.142   1.895  -5.781
  304   2H2*    A  27          2H2*        A  27  14.022   3.648  -5.791
  305   1H5*    G  28          1H5*        G  28  11.054   5.728  -5.967
  306   2H5*    G  28          2H5*        G  28  10.598   7.006  -7.112
  307    H4*    G  28           H4*        G  28  10.754   8.229  -5.217
  308    H3*    G  28           H3*        G  28  12.812   8.801  -6.892
  309    H1*    G  28           H1*        G  28  13.329   8.328  -3.105
  310    H8     G  28           H8         G  28  14.512   5.206  -5.086
  311    H1     G  28           H1         G  28  16.429   5.565   1.032
  312   1H2     G  28          1H2         G  28  15.637   7.389   1.970
  313   2H2     G  28          2H2         G  28  14.634   8.527   1.098
  314   1H2*    G  28          1H2*        G  28  14.511   7.514  -5.806
  315   2H2*    G  28          2H2*        G  28  14.692   9.044  -4.961
  316   1H5*    C  29          1H5*        C  29  13.281   9.965  -2.394
  317   2H5*    C  29          2H5*        C  29  12.789  11.650  -2.668
  318    H4*    C  29           H4*        C  29  14.056  11.900  -0.801
  319    H3*    C  29           H3*        C  29  15.253  13.048  -2.903
  320    H1*    C  29           H1*        C  29  17.323  10.688  -0.623
  321   1H4     C  29          1H4         C  29  19.158   4.992  -2.688
  322   2H4     C  29          2H4         C  29  18.430   5.260  -4.255
  323    H5     C  29           H5         C  29  17.191   7.265  -4.806
  324    H6     C  29           H6         C  29  16.380   9.403  -3.960
  325   1H2*    C  29          1H2*        C  29  16.670  11.219  -3.554
  326   2H2*    C  29          2H2*        C  29  17.751  12.114  -2.494
  327   1H5*    C  30          1H5*        C  30  17.038  13.265   1.240
  328   2H5*    C  30          2H5*        C  30  17.056  14.999   1.626
  329    H4*    C  30           H4*        C  30  18.496  14.071   3.177
  330    H3*    C  30           H3*        C  30  19.609  15.902   1.584
  331    H1*    C  30           H1*        C  30  21.436  12.400   1.901
  332   1H4     C  30          1H4         C  30  21.041   8.582  -3.135
  333   2H4     C  30          2H4         C  30  20.149   9.777  -4.050
  334    H5     C  30           H5         C  30  19.501  11.923  -3.127
  335    H6     C  30           H6         C  30  19.551  13.335  -1.139
  336    H3T    C  30           H3T        C  30  20.186  14.719   3.880
  337   1H2*    C  30          1H2*        C  30  20.595  14.524  -0.079
  338   2H2*    C  30          2H2*        C  30  21.920  14.537   1.076
  339   1H    ASP  10          1H        ASP  10  -4.274  13.288   9.076
  340    HA   ASP  10           HA       ASP  10  -5.863  11.641  10.928
  341   1HB   ASP  10          1HB       ASP  10  -6.783  13.936  11.612
  342   2HB   ASP  10          2HB       ASP  10  -5.126  13.565  12.093
  343    H    GLU  11           H        GLU  11  -5.741  12.631   7.816
  344    HA   GLU  11           HA       GLU  11  -8.424  13.544   7.441
  345   1HB   GLU  11          1HB       GLU  11  -6.351  12.648   5.432
  346   2HB   GLU  11          2HB       GLU  11  -7.886  13.407   5.035
  347   1HG   GLU  11          1HG       GLU  11  -7.219  15.402   6.245
  348   2HG   GLU  11          2HG       GLU  11  -5.667  14.654   6.619
  349    H    LEU  12           H        LEU  12  -9.991  12.471   6.120
  350    HA   LEU  12           HA       LEU  12 -10.017   9.587   6.620
  351   1HB   LEU  12          1HB       LEU  12 -12.248  11.418   5.735
  352   2HB   LEU  12          2HB       LEU  12 -12.414   9.738   6.209
  353    HG   LEU  12           HG       LEU  12 -11.523  11.966   8.043
  354   1HD1  LEU  12          1HD1      LEU  12 -14.181  10.552   7.821
  355   2HD1  LEU  12          2HD1      LEU  12 -13.854  12.228   7.385
  356   3HD1  LEU  12          3HD1      LEU  12 -13.734  11.716   9.069
  357   1HD2  LEU  12          1HD2      LEU  12 -10.621   9.789   8.668
  358   2HD2  LEU  12          2HD2      LEU  12 -12.238   9.089   8.606
  359   3HD2  LEU  12          3HD2      LEU  12 -11.853  10.314   9.815
  360    H    CYS  13           H        CYS  13 -10.296   8.105   5.009
  361    HA   CYS  13           HA       CYS  13  -9.390   8.714   2.407
  362   1HB   CYS  13          1HB       CYS  13 -10.984   6.303   3.306
  363   2HB   CYS  13          2HB       CYS  13  -9.975   6.413   1.870
  364    HG   CYS  13           HG       CYS  13  -9.004   6.187   5.125
  365    HA   PRO  14           HA       PRO  14 -13.269  10.237   0.773
  366   1HB   PRO  14          1HB       PRO  14 -12.473  10.393  -1.827
  367   2HB   PRO  14          2HB       PRO  14 -12.041  11.597  -0.608
  368   1HG   PRO  14          1HG       PRO  14 -10.427   9.322  -1.683
  369   2HG   PRO  14          2HG       PRO  14  -9.921  10.980  -1.313
  370   1HD   PRO  14          1HD       PRO  14  -9.425   8.887   0.340
  371   2HD   PRO  14          2HD       PRO  14  -9.685  10.540   0.933
  372    H    VAL  15           H        VAL  15 -11.822   7.258   0.309
  373    HA   VAL  15           HA       VAL  15 -13.861   6.254  -1.514
  374    HB   VAL  15           HB       VAL  15 -11.535   4.797  -0.237
  375   1HG1  VAL  15          1HG1      VAL  15 -13.352   3.275  -0.770
  376   2HG1  VAL  15          2HG1      VAL  15 -12.003   3.036  -1.881
  377   3HG1  VAL  15          3HG1      VAL  15 -13.434   3.922  -2.410
  378   1HG2  VAL  15          1HG2      VAL  15 -11.871   5.861  -3.034
  379   2HG2  VAL  15          2HG2      VAL  15 -10.512   4.902  -2.451
  380   3HG2  VAL  15          3HG2      VAL  15 -10.800   6.513  -1.796
  381    H    CYS  16           H        CYS  16 -12.537   5.185   1.637
  382    HA   CYS  16           HA       CYS  16 -15.038   3.770   2.120
  383   1HB   CYS  16          1HB       CYS  16 -13.714   2.768   4.033
  384   2HB   CYS  16          2HB       CYS  16 -13.124   2.412   2.412
  385    HG   CYS  16           HG       CYS  16 -11.414   3.468   4.873
  386    H    GLY  17           H        GLY  17 -13.217   6.480   3.389
  387   1HA   GLY  17          1HA       GLY  17 -14.268   8.239   4.559
  388   2HA   GLY  17          2HA       GLY  17 -15.538   7.129   5.042
  389    H    ASP  18           H        ASP  18 -12.321   5.976   5.482
  390    HA   ASP  18           HA       ASP  18 -12.451   6.761   8.320
  391   1HB   ASP  18          1HB       ASP  18 -11.247   4.673   8.887
  392   2HB   ASP  18          2HB       ASP  18 -12.827   4.372   8.177
  393    H    LYS  19           H        LYS  19 -10.253   6.673   9.399
  394    HA   LYS  19           HA       LYS  19  -8.676   8.662   8.331
  395   1HB   LYS  19          1HB       LYS  19  -8.004   6.542  10.359
  396   2HB   LYS  19          2HB       LYS  19  -6.898   7.844   9.949
  397   1HG   LYS  19          1HG       LYS  19  -8.594   9.478  10.642
  398   2HG   LYS  19          2HG       LYS  19  -9.660   8.151  11.100
  399   1HD   LYS  19          1HD       LYS  19  -8.586   8.953  13.080
  400   2HD   LYS  19          2HD       LYS  19  -7.901   7.377  12.690
  401   1HE   LYS  19          1HE       LYS  19  -6.591   9.936  11.812
  402   2HE   LYS  19          2HE       LYS  19  -6.296   9.247  13.406
  403   1HZ   LYS  19          1HZ       LYS  19  -5.565   7.187  12.280
  404   2HZ   LYS  19          2HZ       LYS  19  -4.589   8.527  11.921
  405   3HZ   LYS  19          3HZ       LYS  19  -5.716   7.975  10.786
  406    H    VAL  20           H        VAL  20  -7.149   8.825   6.896
  407    HA   VAL  20           HA       VAL  20  -6.371   6.649   5.254
  408    HB   VAL  20           HB       VAL  20  -4.848   8.237   4.173
  409   1HG1  VAL  20          1HG1      VAL  20  -7.189   8.257   3.530
  410   2HG1  VAL  20          2HG1      VAL  20  -6.512   9.883   3.449
  411   3HG1  VAL  20          3HG1      VAL  20  -7.545   9.424   4.802
  412   1HG2  VAL  20          1HG2      VAL  20  -4.684  10.555   4.949
  413   2HG2  VAL  20          2HG2      VAL  20  -4.054   9.428   6.151
  414   3HG2  VAL  20          3HG2      VAL  20  -5.649  10.149   6.369
  415    H    SER  21           H        SER  21  -4.298   5.733   4.989
  416    HA   SER  21           HA       SER  21  -2.688   5.712   7.434
  417   1HB   SER  21          1HB       SER  21  -2.548   3.884   5.019
  418   2HB   SER  21          2HB       SER  21  -1.708   3.657   6.554
  419    HG   SER  21           HG       SER  21  -3.956   3.715   7.464
  420    H    GLY  22           H        GLY  22  -2.840   7.522   4.816
  421   1HA   GLY  22          1HA       GLY  22  -0.953   9.137   4.653
  422   2HA   GLY  22          2HA       GLY  22   0.086   7.725   4.506
  423    H    TYR  23           H        TYR  23   0.635   9.112   2.544
  424    HA   TYR  23           HA       TYR  23  -1.143   9.081   0.316
  425   1HB   TYR  23          1HB       TYR  23   1.438  10.139   0.941
  426   2HB   TYR  23          2HB       TYR  23   1.566   9.214  -0.551
  427    HD1  TYR  23           HD1      TYR  23   0.286  12.215   1.017
  428    HD2  TYR  23           HD2      TYR  23   0.207   9.856  -2.520
  429    HE1  TYR  23           HE1      TYR  23  -0.649  14.118  -0.225
  430    HE2  TYR  23           HE2      TYR  23  -0.727  11.754  -3.774
  431    HH   TYR  23           HH       TYR  23  -1.612  13.820  -3.621
  432    H    HIS  24           H        HIS  24  -1.549   7.445  -1.071
  433    HA   HIS  24           HA       HIS  24   0.503   5.381  -1.385
  434   1HB   HIS  24          1HB       HIS  24  -2.390   4.851  -0.736
  435   2HB   HIS  24          2HB       HIS  24  -1.363   3.645  -1.500
  436    HD1  HIS  24           HD1      HIS  24   1.208   4.200   0.231
  437    HD2  HIS  24           HD2      HIS  24  -2.640   3.665   1.711
  438    HE1  HIS  24           HE1      HIS  24   1.498   3.365   2.586
  439    HE2  HIS  24           HE2      HIS  24  -0.840   2.797   3.357
  440    H    TYR  25           H        TYR  25  -2.628   4.834  -2.749
  441    HA   TYR  25           HA       TYR  25  -1.382   4.928  -5.355
  442   1HB   TYR  25          1HB       TYR  25  -4.106   4.006  -4.437
  443   2HB   TYR  25          2HB       TYR  25  -3.620   4.022  -6.126
  444    HD1  TYR  25           HD1      TYR  25  -2.066   2.861  -2.914
  445    HD2  TYR  25           HD2      TYR  25  -3.105   1.934  -6.933
  446    HE1  TYR  25           HE1      TYR  25  -1.112   0.615  -2.637
  447    HE2  TYR  25           HE2      TYR  25  -2.151  -0.317  -6.665
  448    HH   TYR  25           HH       TYR  25  -0.455  -1.438  -5.208
  449    H    GLY  26           H        GLY  26  -1.099   7.237  -5.407
  450   1HA   GLY  26          1HA       GLY  26  -1.670   9.016  -6.799
  451   2HA   GLY  26          2HA       GLY  26  -3.303   8.380  -6.914
  452    H    LEU  27           H        LEU  27  -3.200   8.248  -3.820
  453    HA   LEU  27           HA       LEU  27  -3.034  10.963  -2.977
  454   1HB   LEU  27          1HB       LEU  27  -5.331  11.437  -2.546
  455   2HB   LEU  27          2HB       LEU  27  -5.182  11.011  -4.237
  456    HG   LEU  27           HG       LEU  27  -6.071   8.988  -2.194
  457   1HD1  LEU  27          1HD1      LEU  27  -8.374   9.575  -2.750
  458   2HD1  LEU  27          2HD1      LEU  27  -7.798  10.919  -3.737
  459   3HD1  LEU  27          3HD1      LEU  27  -7.536  10.929  -1.993
  460   1HD2  LEU  27          1HD2      LEU  27  -6.625   9.255  -5.148
  461   2HD2  LEU  27          2HD2      LEU  27  -7.085   7.913  -4.101
  462   3HD2  LEU  27          3HD2      LEU  27  -5.383   8.217  -4.446
  463    H    LEU  28           H        LEU  28  -4.617  10.972  -0.784
  464    HA   LEU  28           HA       LEU  28  -3.200   9.163   0.935
  465   1HB   LEU  28          1HB       LEU  28  -5.366  11.180   1.541
  466   2HB   LEU  28          2HB       LEU  28  -4.509  10.252   2.753
  467    HG   LEU  28           HG       LEU  28  -2.378  11.343   1.732
  468   1HD1  LEU  28          1HD1      LEU  28  -4.507  13.278   0.832
  469   2HD1  LEU  28          2HD1      LEU  28  -3.439  12.339  -0.210
  470   3HD1  LEU  28          3HD1      LEU  28  -2.771  13.586   0.837
  471   1HD2  LEU  28          1HD2      LEU  28  -4.343  12.925   3.381
  472   2HD2  LEU  28          2HD2      LEU  28  -2.611  13.231   3.264
  473   3HD2  LEU  28          3HD2      LEU  28  -3.194  11.734   3.990
  474    H    THR  29           H        THR  29  -3.810   7.208   1.425
  475    HA   THR  29           HA       THR  29  -6.638   6.526   1.632
  476    HB   THR  29           HB       THR  29  -6.011   4.347   0.323
  477    HG1  THR  29           HG1      THR  29  -4.159   6.234  -0.754
  478   1HG2  THR  29          1HG2      THR  29  -6.767   5.354  -1.776
  479   2HG2  THR  29          2HG2      THR  29  -6.436   6.963  -1.130
  480   3HG2  THR  29          3HG2      THR  29  -7.703   5.966  -0.412
  481    H    CYS  30           H        CYS  30  -6.990   4.585   2.877
  482    HA   CYS  30           HA       CYS  30  -4.785   4.033   4.684
  483   1HB   CYS  30          1HB       CYS  30  -6.420   2.812   6.024
  484   2HB   CYS  30          2HB       CYS  30  -7.020   4.418   5.629
  485    HG   CYS  30           HG       CYS  30  -9.305   3.238   5.260
  486    H    GLU  31           H        GLU  31  -4.645   1.642   5.403
  487    HA   GLU  31           HA       GLU  31  -3.599   0.184   3.257
  488   1HB   GLU  31          1HB       GLU  31  -4.426  -0.809   5.990
  489   2HB   GLU  31          2HB       GLU  31  -3.381  -1.668   4.864
  490   1HG   GLU  31          1HG       GLU  31  -2.803   0.955   6.223
  491   2HG   GLU  31          2HG       GLU  31  -2.040  -0.602   6.545
  492    H    SER  32           H        SER  32  -6.790   0.224   4.663
  493    HA   SER  32           HA       SER  32  -7.742  -2.203   3.575
  494   1HB   SER  32          1HB       SER  32  -8.827  -0.836   5.419
  495   2HB   SER  32          2HB       SER  32  -9.405   0.256   4.160
  496    HG   SER  32           HG       SER  32 -10.493  -2.011   4.985
  497    H    CYS  33           H        CYS  33  -7.611   1.103   2.335
  498    HA   CYS  33           HA       CYS  33  -9.289   0.757   0.109
  499   1HB   CYS  33          1HB       CYS  33  -6.933   2.633   0.420
  500   2HB   CYS  33          2HB       CYS  33  -8.176   2.755  -0.822
  501    HG   CYS  33           HG       CYS  33  -8.984   2.914   2.493
  502    H    LYS  34           H        LYS  34  -5.710   0.751   0.227
  503    HA   LYS  34           HA       LYS  34  -5.523  -0.177  -2.459
  504   1HB   LYS  34          1HB       LYS  34  -3.137  -0.384  -2.085
  505   2HB   LYS  34          2HB       LYS  34  -3.726   1.148  -1.464
  506   1HG   LYS  34          1HG       LYS  34  -3.448   0.480   0.764
  507   2HG   LYS  34          2HG       LYS  34  -3.320  -1.228   0.324
  508   1HD   LYS  34          1HD       LYS  34  -1.182  -0.893  -0.675
  509   2HD   LYS  34          2HD       LYS  34  -1.339   0.859  -0.573
  510   1HE   LYS  34          1HE       LYS  34   0.190  -0.029   1.115
  511   2HE   LYS  34          2HE       LYS  34  -1.209   0.759   1.844
  512   1HZ   LYS  34          1HZ       LYS  34  -2.186  -1.505   2.087
  513   2HZ   LYS  34          2HZ       LYS  34  -0.807  -1.225   3.031
  514   3HZ   LYS  34          3HZ       LYS  34  -0.694  -2.150   1.613
  515    H    GLY  35           H        GLY  35  -5.924  -1.745   0.570
  516   1HA   GLY  35          1HA       GLY  35  -4.850  -4.275  -0.041
  517   2HA   GLY  35          2HA       GLY  35  -6.123  -3.959   1.130
  518    H    PHE  36           H        PHE  36  -8.252  -3.207  -0.150
  519    HA   PHE  36           HA       PHE  36  -9.125  -5.558  -1.484
  520   1HB   PHE  36          1HB       PHE  36 -10.734  -4.350  -0.196
  521   2HB   PHE  36          2HB       PHE  36 -10.420  -2.861  -1.082
  522    HD1  PHE  36           HD1      PHE  36 -11.884  -2.252  -2.744
  523    HD2  PHE  36           HD2      PHE  36 -11.552  -6.363  -1.698
  524    HE1  PHE  36           HE1      PHE  36 -13.691  -2.795  -4.319
  525    HE2  PHE  36           HE2      PHE  36 -13.362  -6.913  -3.270
  526    HZ   PHE  36           HZ       PHE  36 -14.432  -5.127  -4.584
  527    H    PHE  37           H        PHE  37  -8.248  -2.324  -2.583
  528    HA   PHE  37           HA       PHE  37  -9.146  -2.478  -5.206
  529   1HB   PHE  37          1HB       PHE  37  -8.383  -0.394  -4.226
  530   2HB   PHE  37          2HB       PHE  37  -6.748  -1.023  -4.078
  531    HD1  PHE  37           HD1      PHE  37  -5.289  -0.056  -5.538
  532    HD2  PHE  37           HD2      PHE  37  -9.271  -0.814  -6.826
  533    HE1  PHE  37           HE1      PHE  37  -4.739   0.850  -7.757
  534    HE2  PHE  37           HE2      PHE  37  -8.722   0.083  -9.046
  535    HZ   PHE  37           HZ       PHE  37  -6.461   0.922  -9.517
  536    H    LYS  38           H        LYS  38  -5.913  -3.310  -3.937
  537    HA   LYS  38           HA       LYS  38  -5.004  -4.128  -6.518
  538   1HB   LYS  38          1HB       LYS  38  -2.933  -4.512  -5.531
  539   2HB   LYS  38          2HB       LYS  38  -3.626  -3.234  -4.565
  540   1HG   LYS  38          1HG       LYS  38  -4.199  -4.805  -2.849
  541   2HG   LYS  38          2HG       LYS  38  -3.501  -6.110  -3.823
  542   1HD   LYS  38          1HD       LYS  38  -1.371  -4.846  -3.882
  543   2HD   LYS  38          2HD       LYS  38  -2.081  -3.681  -2.759
  544   1HE   LYS  38          1HE       LYS  38  -2.394  -5.385  -1.130
  545   2HE   LYS  38          2HE       LYS  38  -1.826  -6.609  -2.260
  546   1HZ   LYS  38          1HZ       LYS  38  -0.173  -4.342  -1.307
  547   2HZ   LYS  38          2HZ       LYS  38   0.342  -5.650  -2.244
  548   3HZ   LYS  38          3HZ       LYS  38  -0.120  -5.893  -0.635
  549    H    ARG  39           H        ARG  39  -6.247  -5.783  -3.675
  550    HA   ARG  39           HA       ARG  39  -5.872  -8.434  -4.421
  551   1HB   ARG  39          1HB       ARG  39  -8.115  -7.072  -2.973
  552   2HB   ARG  39          2HB       ARG  39  -8.246  -8.773  -3.384
  553   1HG   ARG  39          1HG       ARG  39  -6.150  -9.187  -2.133
  554   2HG   ARG  39          2HG       ARG  39  -6.156  -7.490  -1.644
  555   1HD   ARG  39          1HD       ARG  39  -8.365  -7.810  -0.617
  556   2HD   ARG  39          2HD       ARG  39  -8.327  -9.508  -1.082
  557    HE   ARG  39           HE       ARG  39  -6.683  -8.234   0.986
  558   1HH1  ARG  39          1HH1      ARG  39  -7.665 -11.132  -0.704
  559   2HH1  ARG  39          2HH1      ARG  39  -7.234 -12.201   0.597
  560   1HH2  ARG  39          1HH2      ARG  39  -6.110  -9.637   2.712
  561   2HH2  ARG  39          2HH2      ARG  39  -6.332 -11.353   2.536
  562    H    THR  40           H        THR  40  -8.374  -6.179  -5.449
  563    HA   THR  40           HA       THR  40  -9.856  -8.014  -7.002
  564    HB   THR  40           HB       THR  40  -9.724  -5.001  -7.254
  565    HG1  THR  40           HG1      THR  40 -10.337  -5.462  -5.173
  566   1HG2  THR  40          1HG2      THR  40 -11.988  -5.205  -8.164
  567   2HG2  THR  40          2HG2      THR  40 -11.883  -6.961  -8.045
  568   3HG2  THR  40          3HG2      THR  40 -10.828  -6.087  -9.156
  569    H    VAL  41           H        VAL  41  -7.517  -5.480  -7.957
  570    HA   VAL  41           HA       VAL  41  -7.720  -5.996 -10.716
  571    HB   VAL  41           HB       VAL  41  -5.575  -4.716 -10.911
  572   1HG1  VAL  41          1HG1      VAL  41  -7.731  -3.605 -11.025
  573   2HG1  VAL  41          2HG1      VAL  41  -6.557  -2.594 -10.180
  574   3HG1  VAL  41          3HG1      VAL  41  -7.776  -3.483  -9.265
  575   1HG2  VAL  41          1HG2      VAL  41  -5.868  -4.492  -7.926
  576   2HG2  VAL  41          2HG2      VAL  41  -4.724  -3.593  -8.925
  577   3HG2  VAL  41          3HG2      VAL  41  -4.585  -5.346  -8.782
  578    H    GLN  42           H        GLN  42  -5.387  -7.174  -8.315
  579    HA   GLN  42           HA       GLN  42  -3.616  -8.364 -10.153
  580   1HB   GLN  42          1HB       GLN  42  -4.138  -8.991  -7.247
  581   2HB   GLN  42          2HB       GLN  42  -2.832  -9.704  -8.180
  582   1HG   GLN  42          1HG       GLN  42  -3.180  -6.747  -7.762
  583   2HG   GLN  42          2HG       GLN  42  -2.175  -7.774  -6.746
  584   1HE2  GLN  42          1HE2      GLN  42  -0.316  -6.662  -7.272
  585   2HE2  GLN  42          2HE2      GLN  42   0.441  -6.778  -8.820
  586    H    ASN  43           H        ASN  43  -6.681  -9.417  -8.951
  587    HA   ASN  43           HA       ASN  43  -6.176 -12.103 -10.031
  588   1HB   ASN  43          1HB       ASN  43  -8.256 -11.130  -8.067
  589   2HB   ASN  43          2HB       ASN  43  -8.270 -12.742  -8.777
  590   1HD2  ASN  43          1HD2      ASN  43  -6.749 -10.622  -6.504
  591   2HD2  ASN  43          2HD2      ASN  43  -5.737 -11.815  -5.754
  592    H    ASN  44           H        ASN  44  -7.208  -9.286 -11.111
  593    HA   ASN  44           HA       ASN  44  -8.405  -8.602 -12.922
  594   1HB   ASN  44          1HB       ASN  44  -8.223 -11.558 -13.490
  595   2HB   ASN  44          2HB       ASN  44  -9.075 -10.467 -14.570
  596   1HD2  ASN  44          1HD2      ASN  44  -6.257  -9.417 -12.842
  597   2HD2  ASN  44          2HD2      ASN  44  -5.190  -9.375 -14.201
  598    H    LYS  45           H        LYS  45  -9.747  -9.072 -10.480
  599    HA   LYS  45           HA       LYS  45 -12.154 -10.557 -11.025
  600   1HB   LYS  45          1HB       LYS  45 -11.120  -9.073  -8.625
  601   2HB   LYS  45          2HB       LYS  45 -12.731  -9.761  -8.671
  602   1HG   LYS  45          1HG       LYS  45 -11.715 -11.975  -9.145
  603   2HG   LYS  45          2HG       LYS  45 -10.128 -11.239  -8.918
  604   1HD   LYS  45          1HD       LYS  45 -10.627 -10.718  -6.634
  605   2HD   LYS  45          2HD       LYS  45 -12.308 -11.220  -6.837
  606   1HE   LYS  45          1HE       LYS  45 -11.494 -13.515  -7.345
  607   2HE   LYS  45          2HE       LYS  45  -9.859 -12.974  -6.968
  608   1HZ   LYS  45          1HZ       LYS  45 -11.060 -14.122  -5.124
  609   2HZ   LYS  45          2HZ       LYS  45 -12.115 -12.793  -5.050
  610   3HZ   LYS  45          3HZ       LYS  45 -10.462 -12.582  -4.727
  611    H    HIS  46           H        HIS  46 -14.096  -9.803 -11.507
  612    HA   HIS  46           HA       HIS  46 -14.573  -6.908 -11.276
  613   1HB   HIS  46          1HB       HIS  46 -15.150  -8.737 -13.579
  614   2HB   HIS  46          2HB       HIS  46 -16.206  -7.360 -13.280
  615    HD1  HIS  46           HD1      HIS  46 -15.494  -5.198 -14.252
  616    HD2  HIS  46           HD2      HIS  46 -12.345  -7.906 -13.982
  617    HE1  HIS  46           HE1      HIS  46 -13.556  -4.107 -15.429
  618    HE2  HIS  46           HE2      HIS  46 -11.735  -5.852 -15.439
  619    H    TYR  47           H        TYR  47 -16.204  -6.445 -10.001
  620    HA   TYR  47           HA       TYR  47 -18.000  -8.608  -9.194
  621   1HB   TYR  47          1HB       TYR  47 -17.498  -5.902  -7.930
  622   2HB   TYR  47          2HB       TYR  47 -18.553  -7.154  -7.279
  623    HD1  TYR  47           HD1      TYR  47 -17.605  -9.214  -6.337
  624    HD2  TYR  47           HD2      TYR  47 -15.104  -6.065  -7.724
  625    HE1  TYR  47           HE1      TYR  47 -15.704 -10.198  -5.129
  626    HE2  TYR  47           HE2      TYR  47 -13.196  -7.042  -6.520
  627    HH   TYR  47           HH       TYR  47 -12.762  -8.529  -4.653
  628    H    THR  48           H        THR  48 -20.291  -8.095  -8.886
  629    HA   THR  48           HA       THR  48 -21.216  -6.086 -10.834
  630    HB   THR  48           HB       THR  48 -22.477  -8.802 -10.415
  631    HG1  THR  48           HG1      THR  48 -20.468  -9.082 -11.417
  632   1HG2  THR  48          1HG2      THR  48 -24.035  -7.131 -11.231
  633   2HG2  THR  48          2HG2      THR  48 -23.641  -8.256 -12.529
  634   3HG2  THR  48          3HG2      THR  48 -22.904  -6.654 -12.497
  635    H    CYS  49           H        CYS  49 -22.510  -4.639  -9.947
  636    HA   CYS  49           HA       CYS  49 -24.174  -5.435  -7.637
  637   1HB   CYS  49          1HB       CYS  49 -22.403  -3.648  -7.255
  638   2HB   CYS  49          2HB       CYS  49 -23.301  -2.626  -8.366
  639    HG   CYS  49           HG       CYS  49 -24.743  -3.867  -5.523
  640    H    THR  50           H        THR  50 -24.238  -5.142 -10.793
  641    HA   THR  50           HA       THR  50 -25.841  -4.996 -12.375
  642    HB   THR  50           HB       THR  50 -27.784  -4.374 -10.141
  643    HG1  THR  50           HG1      THR  50 -28.307  -6.712 -10.640
  644   1HG2  THR  50          1HG2      THR  50 -28.240  -5.317 -12.976
  645   2HG2  THR  50          2HG2      THR  50 -28.613  -3.713 -12.347
  646   3HG2  THR  50          3HG2      THR  50 -29.489  -5.121 -11.746
  647    H    GLU  51           H        GLU  51 -25.485  -3.362 -13.665
  648    HA   GLU  51           HA       GLU  51 -25.375  -1.299 -14.568
  649   1HB   GLU  51          1HB       GLU  51 -27.330  -0.627 -12.370
  650   2HB   GLU  51          2HB       GLU  51 -26.857   0.497 -13.639
  651   1HG   GLU  51          1HG       GLU  51 -28.152  -2.180 -14.095
  652   2HG   GLU  51          2HG       GLU  51 -28.988  -0.630 -14.104
  653    H    SER  52           H        SER  52 -25.177   1.234 -13.555
  654    HA   SER  52           HA       SER  52 -22.526   1.155 -12.503
  655   1HB   SER  52          1HB       SER  52 -24.342   3.544 -12.899
  656   2HB   SER  52          2HB       SER  52 -22.588   3.573 -12.723
  657    HG   SER  52           HG       SER  52 -22.877   1.967 -14.674
  658    H    GLN  53           H        GLN  53 -25.721   1.871 -11.251
  659    HA   GLN  53           HA       GLN  53 -26.550   1.674  -9.150
  660   1HB   GLN  53          1HB       GLN  53 -23.752   0.753  -8.596
  661   2HB   GLN  53          2HB       GLN  53 -24.920   0.961  -7.296
  662   1HG   GLN  53          1HG       GLN  53 -25.389  -0.759  -9.711
  663   2HG   GLN  53          2HG       GLN  53 -24.746  -1.353  -8.179
  664   1HE2  GLN  53          1HE2      GLN  53 -26.071  -1.473  -6.405
  665   2HE2  GLN  53          2HE2      GLN  53 -27.789  -1.356  -6.522
  666    H    SER  54           H        SER  54 -23.355   3.216  -9.033
  667    HA   SER  54           HA       SER  54 -22.617   5.136  -8.068
  668   1HB   SER  54          1HB       SER  54 -25.514   6.018  -8.115
  669   2HB   SER  54          2HB       SER  54 -24.087   7.053  -8.079
  670    HG   SER  54           HG       SER  54 -25.229   5.641 -10.193
  671    H    CYS  55           H        CYS  55 -23.505   2.884  -6.405
  672    HA   CYS  55           HA       CYS  55 -24.858   3.661  -4.091
  673   1HB   CYS  55          1HB       CYS  55 -22.590   1.665  -4.292
  674   2HB   CYS  55          2HB       CYS  55 -23.789   1.749  -3.006
  675    HG   CYS  55           HG       CYS  55 -25.822   1.388  -5.237
  676    H    LYS  56           H        LYS  56 -24.243   4.605  -2.179
  677    HA   LYS  56           HA       LYS  56 -21.867   6.243  -2.316
  678   1HB   LYS  56          1HB       LYS  56 -23.991   6.015  -0.179
  679   2HB   LYS  56          2HB       LYS  56 -22.683   7.192  -0.177
  680   1HG   LYS  56          1HG       LYS  56 -23.539   8.069  -2.334
  681   2HG   LYS  56          2HG       LYS  56 -24.911   6.970  -2.187
  682   1HD   LYS  56          1HD       LYS  56 -25.496   8.045  -0.042
  683   2HD   LYS  56          2HD       LYS  56 -24.168   9.183  -0.278
  684   1HE   LYS  56          1HE       LYS  56 -25.214   9.940  -2.369
  685   2HE   LYS  56          2HE       LYS  56 -26.554   8.831  -2.086
  686   1HZ   LYS  56          1HZ       LYS  56 -27.223  10.960  -1.354
  687   2HZ   LYS  56          2HZ       LYS  56 -25.799  11.197  -0.469
  688   3HZ   LYS  56          3HZ       LYS  56 -26.932  10.044   0.046
  689    H    ILE  57           H        ILE  57 -20.009   5.309  -1.888
  690    HA   ILE  57           HA       ILE  57 -19.747   3.153  -0.017
  691    HB   ILE  57           HB       ILE  57 -17.502   4.750  -1.252
  692   1HG1  ILE  57          1HG1      ILE  57 -19.049   3.947  -3.002
  693   2HG1  ILE  57          2HG1      ILE  57 -17.493   3.126  -3.079
  694   1HG2  ILE  57          1HG2      ILE  57 -16.234   2.668  -0.951
  695   2HG2  ILE  57          2HG2      ILE  57 -17.648   1.921  -0.207
  696   3HG2  ILE  57          3HG2      ILE  57 -16.853   3.282   0.583
  697   1HD1  ILE  57          1HD1      ILE  57 -19.343   1.583  -3.432
  698   2HD1  ILE  57          2HD1      ILE  57 -20.024   2.022  -1.866
  699   3HD1  ILE  57          3HD1      ILE  57 -18.472   1.190  -1.951
  700    H    ASP  58           H        ASP  58 -19.689   3.426   2.064
  701    HA   ASP  58           HA       ASP  58 -18.220   5.646   3.254
  702   1HB   ASP  58          1HB       ASP  58 -20.689   6.260   3.008
  703   2HB   ASP  58          2HB       ASP  58 -21.034   4.957   4.139
  704    H    LYS  59           H        LYS  59 -18.983   5.031   5.942
  705    HA   LYS  59           HA       LYS  59 -17.371   2.709   6.351
  706   1HB   LYS  59          1HB       LYS  59 -19.100   4.202   8.331
  707   2HB   LYS  59          2HB       LYS  59 -17.858   3.025   8.734
  708   1HG   LYS  59          1HG       LYS  59 -16.268   4.597   7.450
  709   2HG   LYS  59          2HG       LYS  59 -17.550   5.793   7.653
  710   1HD   LYS  59          1HD       LYS  59 -16.244   4.250   9.896
  711   2HD   LYS  59          2HD       LYS  59 -15.827   5.898   9.430
  712   1HE   LYS  59          1HE       LYS  59 -18.585   5.045  10.286
  713   2HE   LYS  59          2HE       LYS  59 -17.377   5.701  11.392
  714   1HZ   LYS  59          1HZ       LYS  59 -18.761   7.057   9.161
  715   2HZ   LYS  59          2HZ       LYS  59 -17.300   7.656   9.778
  716   3HZ   LYS  59          3HZ       LYS  59 -18.656   7.525  10.788
  717    H    THR  60           H        THR  60 -20.710   3.302   5.959
  718    HA   THR  60           HA       THR  60 -21.629   0.866   7.168
  719    HB   THR  60           HB       THR  60 -23.801   1.576   5.967
  720    HG1  THR  60           HG1      THR  60 -23.105   4.166   5.827
  721   1HG2  THR  60          1HG2      THR  60 -24.253   3.295   7.655
  722   2HG2  THR  60          2HG2      THR  60 -22.526   3.416   7.997
  723   3HG2  THR  60          3HG2      THR  60 -23.394   1.924   8.358
  724    H    GLN  61           H        GLN  61 -21.311   2.041   3.801
  725    HA   GLN  61           HA       GLN  61 -22.207  -0.604   2.889
  726   1HB   GLN  61          1HB       GLN  61 -21.957   1.899   1.225
  727   2HB   GLN  61          2HB       GLN  61 -22.801   0.415   0.803
  728   1HG   GLN  61          1HG       GLN  61 -24.233   0.927   2.897
  729   2HG   GLN  61          2HG       GLN  61 -23.589   2.561   2.720
  730   1HE2  GLN  61          1HE2      GLN  61 -26.309   1.594   2.459
  731   2HE2  GLN  61          2HE2      GLN  61 -26.829   2.051   0.870
  732    H    ARG  62           H        ARG  62 -19.365   0.593   3.589
  733    HA   ARG  62           HA       ARG  62 -17.756   0.583   1.345
  734   1HB   ARG  62          1HB       ARG  62 -15.907  -0.124   2.916
  735   2HB   ARG  62          2HB       ARG  62 -16.807   1.313   3.379
  736   1HG   ARG  62          1HG       ARG  62 -18.112  -0.026   4.966
  737   2HG   ARG  62          2HG       ARG  62 -17.183  -1.455   4.510
  738   1HD   ARG  62          1HD       ARG  62 -16.419  -0.339   6.608
  739   2HD   ARG  62          2HD       ARG  62 -15.172  -0.511   5.372
  740    HE   ARG  62           HE       ARG  62 -16.411   1.997   5.090
  741   1HH1  ARG  62          1HH1      ARG  62 -14.334   0.289   7.335
  742   2HH1  ARG  62          2HH1      ARG  62 -13.481   1.717   7.822
  743   1HH2  ARG  62          1HH2      ARG  62 -15.303   3.883   5.758
  744   2HH2  ARG  62          2HH2      ARG  62 -14.022   3.748   6.924
  745    H    LYS  63           H        LYS  63 -18.789  -2.205   3.274
  746    HA   LYS  63           HA       LYS  63 -17.222  -3.960   1.541
  747   1HB   LYS  63          1HB       LYS  63 -17.492  -5.639   3.193
  748   2HB   LYS  63          2HB       LYS  63 -17.137  -4.148   4.052
  749   1HG   LYS  63          1HG       LYS  63 -18.911  -4.573   5.311
  750   2HG   LYS  63          2HG       LYS  63 -19.905  -4.213   3.900
  751   1HD   LYS  63          1HD       LYS  63 -20.517  -6.378   4.806
  752   2HD   LYS  63          2HD       LYS  63 -19.770  -6.573   3.217
  753   1HE   LYS  63          1HE       LYS  63 -18.855  -8.247   4.648
  754   2HE   LYS  63          2HE       LYS  63 -17.604  -7.028   4.387
  755   1HZ   LYS  63          1HZ       LYS  63 -18.080  -6.078   6.524
  756   2HZ   LYS  63          2HZ       LYS  63 -17.789  -7.734   6.719
  757   3HZ   LYS  63          3HZ       LYS  63 -19.374  -7.146   6.769
  758    H    ARG  64           H        ARG  64 -20.291  -2.697   1.609
  759    HA   ARG  64           HA       ARG  64 -21.791  -5.075   1.051
  760   1HB   ARG  64          1HB       ARG  64 -22.473  -2.150   0.859
  761   2HB   ARG  64          2HB       ARG  64 -23.594  -3.411   0.370
  762   1HG   ARG  64          1HG       ARG  64 -23.290  -4.352   2.723
  763   2HG   ARG  64          2HG       ARG  64 -22.549  -2.795   3.110
  764   1HD   ARG  64          1HD       ARG  64 -24.956  -2.847   3.641
  765   2HD   ARG  64          2HD       ARG  64 -24.561  -1.631   2.424
  766    HE   ARG  64           HE       ARG  64 -25.408  -4.217   1.407
  767   1HH1  ARG  64          1HH1      ARG  64 -26.404  -0.983   2.314
  768   2HH1  ARG  64          2HH1      ARG  64 -27.798  -0.991   1.274
  769   1HH2  ARG  64          1HH2      ARG  64 -27.216  -4.236   0.060
  770   2HH2  ARG  64          2HH2      ARG  64 -28.264  -2.849  -0.017
  771    H    CYS  65           H        CYS  65 -20.483  -2.426  -0.889
  772    HA   CYS  65           HA       CYS  65 -21.134  -4.004  -3.284
  773   1HB   CYS  65          1HB       CYS  65 -20.939  -0.999  -3.032
  774   2HB   CYS  65          2HB       CYS  65 -21.288  -1.884  -4.511
  775    HG   CYS  65           HG       CYS  65 -23.824  -1.883  -4.212
  776    HA   PRO  66           HA       PRO  66 -16.533  -3.944  -3.192
  777   1HB   PRO  66          1HB       PRO  66 -17.082  -6.133  -5.120
  778   2HB   PRO  66          2HB       PRO  66 -15.988  -6.103  -3.733
  779   1HG   PRO  66          1HG       PRO  66 -18.277  -7.464  -3.635
  780   2HG   PRO  66          2HG       PRO  66 -17.678  -6.578  -2.219
  781   1HD   PRO  66          1HD       PRO  66 -19.842  -5.834  -4.147
  782   2HD   PRO  66          2HD       PRO  66 -19.779  -5.621  -2.384
  783    H    PHE  67           H        PHE  67 -18.699  -4.385  -5.978
  784    HA   PHE  67           HA       PHE  67 -16.952  -3.406  -7.955
  785   1HB   PHE  67          1HB       PHE  67 -18.705  -4.437  -8.971
  786   2HB   PHE  67          2HB       PHE  67 -19.840  -3.980  -7.712
  787    HD1  PHE  67           HD1      PHE  67 -18.059  -2.663 -10.703
  788    HD2  PHE  67           HD2      PHE  67 -21.360  -2.279  -8.048
  789    HE1  PHE  67           HE1      PHE  67 -19.062  -0.973 -12.190
  790    HE2  PHE  67           HE2      PHE  67 -22.379  -0.599  -9.516
  791    HZ   PHE  67           HZ       PHE  67 -21.220   0.063 -11.599
  792    H    CYS  68           H        CYS  68 -19.432  -1.762  -6.028
  793    HA   CYS  68           HA       CYS  68 -19.078   0.773  -7.225
  794   1HB   CYS  68          1HB       CYS  68 -20.150   0.139  -4.470
  795   2HB   CYS  68          2HB       CYS  68 -20.451   1.601  -5.401
  796    HG   CYS  68           HG       CYS  68 -22.778   0.032  -5.402
  797    H    ARG  69           H        ARG  69 -17.668  -0.793  -4.397
  798    HA   ARG  69           HA       ARG  69 -16.227   1.448  -3.442
  799   1HB   ARG  69          1HB       ARG  69 -16.650  -0.531  -2.059
  800   2HB   ARG  69          2HB       ARG  69 -15.649  -1.504  -3.127
  801   1HG   ARG  69          1HG       ARG  69 -13.702  -0.135  -2.527
  802   2HG   ARG  69          2HG       ARG  69 -14.717   0.794  -1.420
  803   1HD   ARG  69          1HD       ARG  69 -15.179  -1.227  -0.136
  804   2HD   ARG  69          2HD       ARG  69 -14.200  -2.173  -1.259
  805    HE   ARG  69           HE       ARG  69 -12.575  -0.145  -0.309
  806   1HH1  ARG  69          1HH1      ARG  69 -14.313  -2.877   0.992
  807   2HH1  ARG  69          2HH1      ARG  69 -13.205  -3.134   2.300
  808   1HH2  ARG  69          1HH2      ARG  69 -11.100  -0.466   1.410
  809   2HH2  ARG  69          2HH2      ARG  69 -11.369  -1.741   2.551
  810    H    PHE  70           H        PHE  70 -15.485  -1.103  -5.741
  811    HA   PHE  70           HA       PHE  70 -12.792  -0.533  -6.206
  812   1HB   PHE  70          1HB       PHE  70 -13.934  -2.549  -7.040
  813   2HB   PHE  70          2HB       PHE  70 -14.884  -1.560  -8.141
  814    HD1  PHE  70           HD1      PHE  70 -11.353  -2.398  -7.312
  815    HD2  PHE  70           HD2      PHE  70 -14.156  -1.262 -10.304
  816    HE1  PHE  70           HE1      PHE  70  -9.622  -2.683  -9.036
  817    HE2  PHE  70           HE2      PHE  70 -12.431  -1.543 -12.035
  818    HZ   PHE  70           HZ       PHE  70 -10.158  -2.254 -11.402
  819    H    GLN  71           H        GLN  71 -15.640   0.554  -8.068
  820    HA   GLN  71           HA       GLN  71 -14.280   2.352  -9.720
  821   1HB   GLN  71          1HB       GLN  71 -17.143   2.389  -8.761
  822   2HB   GLN  71          2HB       GLN  71 -16.515   3.448 -10.016
  823   1HG   GLN  71          1HG       GLN  71 -16.573   0.441 -10.126
  824   2HG   GLN  71          2HG       GLN  71 -17.696   1.527 -10.943
  825   1HE2  GLN  71          1HE2      GLN  71 -15.588   3.464 -11.604
  826   2HE2  GLN  71          2HE2      GLN  71 -14.690   2.745 -12.900
  827    H    LYS  72           H        LYS  72 -15.628   2.774  -6.494
  828    HA   LYS  72           HA       LYS  72 -15.334   5.535  -6.235
  829   1HB   LYS  72          1HB       LYS  72 -16.501   4.172  -4.573
  830   2HB   LYS  72          2HB       LYS  72 -14.992   3.384  -4.133
  831   1HG   LYS  72          1HG       LYS  72 -15.479   5.007  -2.469
  832   2HG   LYS  72          2HG       LYS  72 -14.122   5.609  -3.422
  833   1HD   LYS  72          1HD       LYS  72 -15.368   7.502  -3.422
  834   2HD   LYS  72          2HD       LYS  72 -16.129   6.700  -4.796
  835   1HE   LYS  72          1HE       LYS  72 -17.892   5.854  -3.374
  836   2HE   LYS  72          2HE       LYS  72 -17.114   6.552  -1.954
  837   1HZ   LYS  72          1HZ       LYS  72 -18.366   7.994  -4.225
  838   2HZ   LYS  72          2HZ       LYS  72 -17.387   8.758  -3.069
  839   3HZ   LYS  72          3HZ       LYS  72 -18.834   8.015  -2.591
  840    H    CYS  73           H        CYS  73 -12.999   2.925  -5.669
  841    HA   CYS  73           HA       CYS  73 -10.870   4.493  -4.731
  842   1HB   CYS  73          1HB       CYS  73 -10.745   1.936  -6.355
  843   2HB   CYS  73          2HB       CYS  73  -9.433   2.610  -5.395
  844    HG   CYS  73           HG       CYS  73 -12.397   1.432  -4.152
  845    H    LEU  74           H        LEU  74 -11.599   3.356  -8.053
  846    HA   LEU  74           HA       LEU  74  -9.467   4.679  -9.309
  847   1HB   LEU  74          1HB       LEU  74 -12.129   3.732 -10.324
  848   2HB   LEU  74          2HB       LEU  74 -10.994   4.550 -11.370
  849    HG   LEU  74           HG       LEU  74  -9.319   2.734 -10.679
  850   1HD1  LEU  74          1HD1      LEU  74 -11.900   1.521  -9.764
  851   2HD1  LEU  74          2HD1      LEU  74 -10.434   1.785  -8.821
  852   3HD1  LEU  74          3HD1      LEU  74 -10.450   0.585 -10.115
  853   1HD2  LEU  74          1HD2      LEU  74 -11.731   1.988 -12.317
  854   2HD2  LEU  74          2HD2      LEU  74 -10.139   1.230 -12.395
  855   3HD2  LEU  74          3HD2      LEU  74 -10.343   2.910 -12.893
  856    H    THR  75           H        THR  75 -12.588   5.827  -8.298
  857    HA   THR  75           HA       THR  75 -12.739   8.143  -9.894
  858    HB   THR  75           HB       THR  75 -13.959   7.536  -7.196
  859    HG1  THR  75           HG1      THR  75 -14.664   6.202  -8.939
  860   1HG2  THR  75          1HG2      THR  75 -15.511   9.376  -7.650
  861   2HG2  THR  75          2HG2      THR  75 -14.617   9.771  -9.119
  862   3HG2  THR  75          3HG2      THR  75 -13.847   9.954  -7.542
  863    H    VAL  76           H        VAL  76 -11.487   7.642  -6.602
  864    HA   VAL  76           HA       VAL  76 -11.116  10.437  -6.159
  865    HB   VAL  76           HB       VAL  76 -10.056   9.784  -4.049
  866   1HG1  VAL  76          1HG1      VAL  76 -12.482   9.930  -4.178
  867   2HG1  VAL  76          2HG1      VAL  76 -11.997   8.644  -3.073
  868   3HG1  VAL  76          3HG1      VAL  76 -12.570   8.245  -4.692
  869   1HG2  VAL  76          1HG2      VAL  76  -8.876   7.787  -4.868
  870   2HG2  VAL  76          2HG2      VAL  76 -10.420   6.949  -5.014
  871   3HG2  VAL  76          3HG2      VAL  76  -9.834   7.447  -3.427
  872    H    GLY  77           H        GLY  77  -9.164   8.029  -7.641
  873   1HA   GLY  77          1HA       GLY  77  -7.355   9.395  -8.906
  874   2HA   GLY  77          2HA       GLY  77  -6.760   9.682  -7.280
  875    H    MET  78           H        MET  78  -7.860   6.755  -6.831
  876    HA   MET  78           HA       MET  78  -5.321   5.502  -7.097
  877   1HB   MET  78          1HB       MET  78  -8.018   4.226  -6.581
  878   2HB   MET  78          2HB       MET  78  -6.452   3.466  -6.327
  879   1HG   MET  78          1HG       MET  78  -5.930   5.170  -4.630
  880   2HG   MET  78          2HG       MET  78  -7.536   5.859  -4.857
  881   1HE   MET  78          1HE       MET  78  -5.474   2.775  -3.585
  882   2HE   MET  78          2HE       MET  78  -6.471   2.082  -4.865
  883   3HE   MET  78          3HE       MET  78  -6.757   1.634  -3.182
  884    H    ARG  79           H        ARG  79  -4.471   4.825  -8.940
  885    HA   ARG  79           HA       ARG  79  -6.295   4.192 -11.158
  886   1HB   ARG  79          1HB       ARG  79  -3.435   5.146 -11.201
  887   2HB   ARG  79          2HB       ARG  79  -4.340   4.666 -12.628
  888   1HG   ARG  79          1HG       ARG  79  -5.994   6.467 -12.049
  889   2HG   ARG  79          2HG       ARG  79  -4.836   7.020 -10.833
  890   1HD   ARG  79          1HD       ARG  79  -3.125   7.155 -12.634
  891   2HD   ARG  79          2HD       ARG  79  -4.392   6.790 -13.800
  892    HE   ARG  79           HE       ARG  79  -5.172   9.002 -12.242
  893   1HH1  ARG  79          1HH1      ARG  79  -2.906   8.093 -14.758
  894   2HH1  ARG  79          2HH1      ARG  79  -2.797   9.706 -15.411
  895   1HH2  ARG  79          1HH2      ARG  79  -5.040  11.096 -13.081
  896   2HH2  ARG  79          2HH2      ARG  79  -4.010  11.430 -14.442
  897    H    LEU  80           H        LEU  80  -5.472   2.664 -12.764
  898    HA   LEU  80           HA       LEU  80  -4.614   0.220 -11.497
  899   1HB   LEU  80          1HB       LEU  80  -5.077   0.845 -14.421
  900   2HB   LEU  80          2HB       LEU  80  -4.770  -0.748 -13.769
  901    HG   LEU  80           HG       LEU  80  -7.058  -0.756 -14.113
  902   1HD1  LEU  80          1HD1      LEU  80  -6.602  -1.520 -11.884
  903   2HD1  LEU  80          2HD1      LEU  80  -8.136  -0.649 -11.906
  904   3HD1  LEU  80          3HD1      LEU  80  -6.689   0.129 -11.263
  905   1HD2  LEU  80          1HD2      LEU  80  -7.220   1.669 -14.627
  906   2HD2  LEU  80          2HD2      LEU  80  -7.333   1.981 -12.893
  907   3HD2  LEU  80          3HD2      LEU  80  -8.579   1.033 -13.700
  908    H    GLU  81           H        GLU  81  -3.232   2.852 -13.147
  909    HA   GLU  81           HA       GLU  81  -0.886   1.679 -14.184
  910   1HB   GLU  81          1HB       GLU  81  -1.275   4.525 -13.243
  911   2HB   GLU  81          2HB       GLU  81  -0.050   3.951 -14.363
  912   1HG   GLU  81          1HG       GLU  81  -1.793   3.373 -15.969
  913   2HG   GLU  81          2HG       GLU  81  -3.018   3.969 -14.849
  914    H    ALA  82           H        ALA  82  -1.842   2.394 -10.990
  915    HA   ALA  82           HA       ALA  82   0.908   2.542 -10.011
  916   1HB   ALA  82          1HB       ALA  82  -0.093   3.113  -7.855
  917   2HB   ALA  82          2HB       ALA  82  -1.703   2.860  -8.530
  918   3HB   ALA  82          3HB       ALA  82  -0.688   4.171  -9.135
  919    H    VAL  83           H        VAL  83  -1.111   0.169 -10.880
  920    HA   VAL  83           HA       VAL  83  -0.490  -1.591  -8.616
  921    HB   VAL  83           HB       VAL  83  -2.284  -2.170 -10.978
  922   1HG1  VAL  83          1HG1      VAL  83  -3.111  -4.005  -9.573
  923   2HG1  VAL  83          2HG1      VAL  83  -1.901  -3.599  -8.352
  924   3HG1  VAL  83          3HG1      VAL  83  -1.393  -4.169  -9.943
  925   1HG2  VAL  83          1HG2      VAL  83  -3.039  -1.315  -8.193
  926   2HG2  VAL  83          2HG2      VAL  83  -4.156  -1.793  -9.474
  927   3HG2  VAL  83          3HG2      VAL  83  -3.180  -0.332  -9.651
  928    H    ARG  84           H        ARG  84   1.434  -2.545  -8.830
  929    HA   ARG  84           HA       ARG  84   2.458  -3.283 -11.413
  930   1HB   ARG  84          1HB       ARG  84   3.440  -3.724  -8.604
  931   2HB   ARG  84          2HB       ARG  84   4.228  -4.469  -9.989
  932   1HG   ARG  84          1HG       ARG  84   4.677  -2.281 -10.936
  933   2HG   ARG  84          2HG       ARG  84   3.841  -1.512  -9.584
  934   1HD   ARG  84          1HD       ARG  84   5.471  -2.327  -8.033
  935   2HD   ARG  84          2HD       ARG  84   6.238  -3.308  -9.281
  936    HE   ARG  84           HE       ARG  84   6.846  -1.161 -10.372
  937   1HH1  ARG  84          1HH1      ARG  84   6.075  -1.210  -6.961
  938   2HH1  ARG  84          2HH1      ARG  84   7.086   0.140  -6.568
  939   1HH2  ARG  84          1HH2      ARG  84   8.203   0.612  -9.877
  940   2HH2  ARG  84          2HH2      ARG  84   8.285   1.200  -8.237
  941    H    ALA  85           H        ALA  85   0.814  -4.639 -12.189
  942    HA   ALA  85           HA       ALA  85  -0.020  -7.058 -11.106
  943   1HB   ALA  85          1HB       ALA  85   0.555  -6.457 -14.008
  944   2HB   ALA  85          2HB       ALA  85  -0.949  -6.097 -13.160
  945   3HB   ALA  85          3HB       ALA  85  -0.451  -7.772 -13.401
  946    H    ASP  86           H        ASP  86   3.034  -6.121 -12.379
  947    HA   ASP  86           HA       ASP  86   4.340  -8.504 -12.895
  948   1HB   ASP  86          1HB       ASP  86   5.346  -6.311 -13.252
  949   2HB   ASP  86          2HB       ASP  86   5.363  -6.008 -11.520
  950    H    ARG  87           H        ARG  87   3.241  -7.210  -9.895
  951    HA   ARG  87           HA       ARG  87   3.132  -7.986  -7.786
  952   1HB   ARG  87          1HB       ARG  87   2.698 -10.194  -9.216
  953   2HB   ARG  87          2HB       ARG  87   4.219 -10.671  -8.474
  954   1HG   ARG  87          1HG       ARG  87   1.813  -9.721  -6.932
  955   2HG   ARG  87          2HG       ARG  87   2.190 -11.415  -7.243
  956   1HD   ARG  87          1HD       ARG  87   4.162  -9.585  -5.911
  957   2HD   ARG  87          2HD       ARG  87   2.899 -10.402  -4.992
  958    HE   ARG  87           HE       ARG  87   3.951 -12.481  -6.213
  959   1HH1  ARG  87          1HH1      ARG  87   5.621  -9.741  -4.782
  960   2HH1  ARG  87          2HH1      ARG  87   7.015 -10.677  -4.331
  961   1HH2  ARG  87          1HH2      ARG  87   5.779 -13.707  -5.566
  962   2HH2  ARG  87          2HH2      ARG  87   7.109 -12.909  -4.773
  963    H    MET  88           H        MET  88   4.706  -6.643  -7.063
  964    HA   MET  88           HA       MET  88   7.431  -7.682  -6.834
  965   1HB   MET  88          1HB       MET  88   6.212  -4.956  -6.415
  966   2HB   MET  88          2HB       MET  88   7.837  -5.339  -5.863
  967   1HG   MET  88          1HG       MET  88   6.981  -5.720  -8.710
  968   2HG   MET  88          2HG       MET  88   7.610  -4.188  -8.107
  969   1HE   MET  88          1HE       MET  88  10.067  -3.759  -7.380
  970   2HE   MET  88          2HE       MET  88  11.252  -5.038  -7.116
  971   3HE   MET  88          3HE       MET  88   9.828  -4.927  -6.081
  972    H    ARG  89           H        ARG  89   8.404  -6.802  -4.596
  973    HA   ARG  89           HA       ARG  89   6.540  -7.590  -2.459
  974   1HB   ARG  89          1HB       ARG  89   9.332  -8.287  -2.999
  975   2HB   ARG  89          2HB       ARG  89   9.055  -7.744  -1.350
  976   1HG   ARG  89          1HG       ARG  89   7.646 -10.002  -2.754
  977   2HG   ARG  89          2HG       ARG  89   8.853 -10.139  -1.472
  978   1HD   ARG  89          1HD       ARG  89   6.066  -9.014  -1.283
  979   2HD   ARG  89          2HD       ARG  89   6.724 -10.423  -0.451
  980    HE   ARG  89           HE       ARG  89   7.772  -7.721   0.087
  981   1HH1  ARG  89          1HH1      ARG  89   6.283 -10.683   1.180
  982   2HH1  ARG  89          2HH1      ARG  89   6.455 -10.307   2.866
  983   1HH2  ARG  89          1HH2      ARG  89   7.988  -7.201   2.298
  984   2HH2  ARG  89          2HH2      ARG  89   7.419  -8.315   3.502
  985    H    GLY  90           H        GLY  90   7.233  -4.950  -3.797
  986   1HA   GLY  90          1HA       GLY  90   6.703  -3.065  -2.069
  987   2HA   GLY  90          2HA       GLY  90   8.337  -3.454  -1.544
  988    H    GLY  91           H        GLY  91   8.790  -1.210  -2.089
  989   1HA   GLY  91          1HA       GLY  91  10.223  -0.023  -3.543
  990   2HA   GLY  91          2HA       GLY  91   9.653  -1.017  -4.876
  991    H    ARG  92           H        ARG  92   9.788   1.996  -4.185
  992    HA   ARG  92           HA       ARG  92   7.107   2.922  -4.079
  993   1HB   ARG  92          1HB       ARG  92   9.571   4.379  -5.061
  994   2HB   ARG  92          2HB       ARG  92   8.047   5.121  -4.590
  995   1HG   ARG  92          1HG       ARG  92   8.373   4.279  -2.299
  996   2HG   ARG  92          2HG       ARG  92   9.933   3.615  -2.789
  997   1HD   ARG  92          1HD       ARG  92  10.326   5.710  -1.711
  998   2HD   ARG  92          2HD       ARG  92  10.631   5.919  -3.434
  999    HE   ARG  92           HE       ARG  92   7.958   6.606  -2.802
 1000   1HH1  ARG  92          1HH1      ARG  92  11.237   7.788  -2.541
 1001   2HH1  ARG  92          2HH1      ARG  92  10.770   9.455  -2.474
 1002   1HH2  ARG  92          1HH2      ARG  92   7.336   8.814  -2.741
 1003   2HH2  ARG  92          2HH2      ARG  92   8.555  10.047  -2.594
 1004    H    ASN  93           H        ASN  93   5.889   3.927  -5.744
 1005    HA   ASN  93           HA       ASN  93   5.805   2.380  -8.102
 1006   1HB   ASN  93          1HB       ASN  93   3.819   3.422  -7.022
 1007   2HB   ASN  93          2HB       ASN  93   4.396   5.001  -7.543
 1008   1HD2  ASN  93          1HD2      ASN  93   2.538   5.359  -8.759
 1009   2HD2  ASN  93          2HD2      ASN  93   2.253   4.547 -10.258
 1010    H    LYS  94           H        LYS  94   6.005   3.054 -10.283
 1011    HA   LYS  94           HA       LYS  94   8.437   4.389 -10.829
 1012   1HB   LYS  94          1HB       LYS  94   7.465   2.535 -12.178
 1013   2HB   LYS  94          2HB       LYS  94   6.208   3.624 -12.732
 1014   1HG   LYS  94          1HG       LYS  94   9.026   4.430 -13.187
 1015   2HG   LYS  94          2HG       LYS  94   8.373   3.111 -14.159
 1016   1HD   LYS  94          1HD       LYS  94   6.545   4.550 -14.899
 1017   2HD   LYS  94          2HD       LYS  94   7.166   5.867 -13.901
 1018   1HE   LYS  94          1HE       LYS  94   7.829   6.174 -16.218
 1019   2HE   LYS  94          2HE       LYS  94   9.241   5.868 -15.207
 1020   1HZ   LYS  94          1HZ       LYS  94   9.462   4.590 -17.176
 1021   2HZ   LYS  94          2HZ       LYS  94   7.896   3.963 -17.047
 1022   3HZ   LYS  94          3HZ       LYS  94   9.088   3.502 -15.936
 1023    H    PHE  95           H        PHE  95   5.215   5.487 -10.499
 1024    HA   PHE  95           HA       PHE  95   5.480   7.862 -12.099
 1025   1HB   PHE  95          1HB       PHE  95   3.380   6.826 -10.212
 1026   2HB   PHE  95          2HB       PHE  95   3.279   8.444 -10.897
 1027    HD1  PHE  95           HD1      PHE  95   1.029   7.188 -11.555
 1028    HD2  PHE  95           HD2      PHE  95   4.850   6.449 -13.277
 1029    HE1  PHE  95           HE1      PHE  95  -0.054   6.290 -13.570
 1030    HE2  PHE  95           HE2      PHE  95   3.771   5.545 -15.292
 1031    HZ   PHE  95           HZ       PHE  95   1.317   5.466 -15.441
 1032    H    GLY  96           H        GLY  96   7.533   7.676 -10.173
 1033   1HA   GLY  96          1HA       GLY  96   7.225   8.993  -7.776
 1034   2HA   GLY  96          2HA       GLY  96   8.681   9.060  -8.752
 1035    HA   PRO  97           HA       PRO  97   8.210  13.293 -10.010
 1036   1HB   PRO  97          1HB       PRO  97   6.878  12.618 -12.594
 1037   2HB   PRO  97          2HB       PRO  97   8.259  13.677 -12.281
 1038   1HG   PRO  97          1HG       PRO  97   8.635  11.258 -13.303
 1039   2HG   PRO  97          2HG       PRO  97   9.741  11.898 -12.072
 1040   1HD   PRO  97          1HD       PRO  97   7.575   9.861 -11.803
 1041   2HD   PRO  97          2HD       PRO  97   9.157   9.941 -11.002
 1042    H    MET  98           H        MET  98   5.259  11.717 -11.354
 1043    HA   MET  98           HA       MET  98   3.682  14.030 -10.833
 1044   1HB   MET  98          1HB       MET  98   1.752  12.687 -11.508
 1045   2HB   MET  98          2HB       MET  98   3.080  12.521 -12.638
 1046   1HG   MET  98          1HG       MET  98   2.242  10.392 -12.448
 1047   2HG   MET  98          2HG       MET  98   3.654  10.395 -11.403
 1048   1HE   MET  98          1HE       MET  98   0.102  11.950 -10.663
 1049   2HE   MET  98          2HE       MET  98  -0.696  10.598  -9.858
 1050   3HE   MET  98          3HE       MET  98  -0.266  10.480 -11.564
 1051    H    TYR  99           H        TYR  99   4.439  11.167  -9.042
 1052    HA   TYR  99           HA       TYR  99   2.393  11.340  -7.095
 1053   1HB   TYR  99          1HB       TYR  99   3.791   9.329  -7.545
 1054   2HB   TYR  99          2HB       TYR  99   5.169  10.162  -6.841
 1055    HD1  TYR  99           HD1      TYR  99   5.644   9.842  -4.608
 1056    HD2  TYR  99           HD2      TYR  99   1.689   9.111  -5.995
 1057    HE1  TYR  99           HE1      TYR  99   5.039   8.956  -2.397
 1058    HE2  TYR  99           HE2      TYR  99   1.071   8.230  -3.791
 1059    HH   TYR  99           HH       TYR  99   3.090   8.566  -1.042
 1060    H    LYS 100           H        LYS 100   5.727  12.534  -7.218
 1061    HA   LYS 100           HA       LYS 100   5.733  13.780  -4.688
 1062   1HB   LYS 100          1HB       LYS 100   7.323  14.278  -7.197
 1063   2HB   LYS 100          2HB       LYS 100   7.567  15.222  -5.736
 1064   1HG   LYS 100          1HG       LYS 100   8.123  13.175  -4.513
 1065   2HG   LYS 100          2HG       LYS 100   7.900  12.242  -5.994
 1066   1HD   LYS 100          1HD       LYS 100  10.273  12.734  -5.544
 1067   2HD   LYS 100          2HD       LYS 100   9.716  13.439  -7.062
 1068   1HE   LYS 100          1HE       LYS 100  11.135  14.983  -5.768
 1069   2HE   LYS 100          2HE       LYS 100   9.509  15.614  -6.020
 1070   1HZ   LYS 100          1HZ       LYS 100  10.397  14.246  -3.537
 1071   2HZ   LYS 100          2HZ       LYS 100   8.923  15.049  -3.790
 1072   3HZ   LYS 100          3HZ       LYS 100  10.368  15.930  -3.737
 1073    H    ARG 101           H        ARG 101   4.918  14.979  -7.918
 1074    HA   ARG 101           HA       ARG 101   4.493  17.652  -7.114
 1075   1HB   ARG 101          1HB       ARG 101   3.580  16.091  -9.516
 1076   2HB   ARG 101          2HB       ARG 101   3.152  17.782  -9.281
 1077   1HG   ARG 101          1HG       ARG 101   5.579  18.305  -9.130
 1078   2HG   ARG 101          2HG       ARG 101   5.915  16.627  -9.560
 1079   1HD   ARG 101          1HD       ARG 101   4.821  16.891 -11.677
 1080   2HD   ARG 101          2HD       ARG 101   4.266  18.508 -11.236
 1081    HE   ARG 101           HE       ARG 101   7.052  18.492 -11.049
 1082   1HH1  ARG 101          1HH1      ARG 101   4.622  18.083 -13.532
 1083   2HH1  ARG 101          2HH1      ARG 101   5.603  18.787 -14.786
 1084   1HH2  ARG 101          1HH2      ARG 101   8.338  19.427 -12.681
 1085   2HH2  ARG 101          2HH2      ARG 101   7.703  19.593 -14.292
 1086    H    ASP 102           H        ASP 102   2.231  14.935  -7.555
 1087    HA   ASP 102           HA       ASP 102  -0.119  16.359  -7.011
 1088   1HB   ASP 102          1HB       ASP 102  -0.052  14.030  -7.903
 1089   2HB   ASP 102          2HB       ASP 102   0.437  13.467  -6.308
 1090    H    ARG 103           H        ARG 103   2.080  14.623  -4.855
 1091    HA   ARG 103           HA       ARG 103   0.700  15.089  -2.452
 1092   1HB   ARG 103          1HB       ARG 103   2.569  13.450  -2.797
 1093   2HB   ARG 103          2HB       ARG 103   3.690  14.804  -2.806
 1094   1HG   ARG 103          1HG       ARG 103   2.949  15.375  -0.515
 1095   2HG   ARG 103          2HG       ARG 103   1.941  13.927  -0.518
 1096   1HD   ARG 103          1HD       ARG 103   3.974  13.391   0.605
 1097   2HD   ARG 103          2HD       ARG 103   4.002  12.588  -0.964
 1098    HE   ARG 103           HE       ARG 103   5.256  15.070  -1.256
 1099   1HH1  ARG 103          1HH1      ARG 103   5.812  12.029   0.411
 1100   2HH1  ARG 103          2HH1      ARG 103   7.542  12.197   0.404
 1101   1HH2  ARG 103          1HH2      ARG 103   7.518  15.291  -1.256
 1102   2HH2  ARG 103          2HH2      ARG 103   8.517  14.074  -0.516
 1103    H    ALA 104           H        ALA 104   3.075  16.987  -4.218
 1104    HA   ALA 104           HA       ALA 104   3.503  18.935  -2.190
 1105   1HB   ALA 104          1HB       ALA 104   5.105  18.553  -4.001
 1106   2HB   ALA 104          2HB       ALA 104   4.589  20.238  -3.940
 1107   3HB   ALA 104          3HB       ALA 104   3.929  19.158  -5.168
 1108    H    LEU 105           H        LEU 105   1.308  18.685  -4.929
 1109    HA   LEU 105           HA       LEU 105   0.223  21.305  -4.620
 1110   1HB   LEU 105          1HB       LEU 105  -0.972  18.914  -6.024
 1111   2HB   LEU 105          2HB       LEU 105  -1.442  20.590  -6.243
 1112    HG   LEU 105           HG       LEU 105   1.236  19.407  -6.983
 1113   1HD1  LEU 105          1HD1      LEU 105  -0.587  18.680  -8.450
 1114   2HD1  LEU 105          2HD1      LEU 105   0.553  19.741  -9.279
 1115   3HD1  LEU 105          3HD1      LEU 105  -1.009  20.367  -8.746
 1116   1HD2  LEU 105          1HD2      LEU 105   1.687  21.568  -8.010
 1117   2HD2  LEU 105          2HD2      LEU 105   1.415  21.730  -6.274
 1118   3HD2  LEU 105          3HD2      LEU 105   0.146  22.182  -7.412
 1119    H    LYS 106           H        LYS 106  -0.488  18.146  -3.348
 1120    HA   LYS 106           HA       LYS 106  -2.976  18.750  -2.138
 1121   1HB   LYS 106          1HB       LYS 106  -2.285  16.453  -2.416
 1122   2HB   LYS 106          2HB       LYS 106  -0.835  16.722  -1.467
 1123   1HG   LYS 106          1HG       LYS 106  -3.516  17.102  -0.207
 1124   2HG   LYS 106          2HG       LYS 106  -2.869  15.477  -0.435
 1125   1HD   LYS 106          1HD       LYS 106  -0.823  16.178   0.790
 1126   2HD   LYS 106          2HD       LYS 106  -1.583  17.738   1.099
 1127   1HE   LYS 106          1HE       LYS 106  -2.560  15.044   2.034
 1128   2HE   LYS 106          2HE       LYS 106  -1.811  16.288   3.028
 1129   1HZ   LYS 106          1HZ       LYS 106  -3.695  17.748   2.505
 1130   2HZ   LYS 106          2HZ       LYS 106  -4.181  16.327   3.304
 1131   3HZ   LYS 106          3HZ       LYS 106  -4.426  16.486   1.632
 1132    H    GLN 107           H        GLN 107   0.376  18.995  -1.034
 1133    HA   GLN 107           HA       GLN 107  -0.311  19.883   1.586
 1134   1HB   GLN 107          1HB       GLN 107   1.744  18.787   1.469
 1135   2HB   GLN 107          2HB       GLN 107   2.212  19.617  -0.009
 1136   1HG   GLN 107          1HG       GLN 107   2.552  21.656   1.209
 1137   2HG   GLN 107          2HG       GLN 107   2.022  20.893   2.706
 1138   1HE2  GLN 107          1HE2      GLN 107   4.571  22.167   2.017
 1139   2HE2  GLN 107          2HE2      GLN 107   5.794  20.974   2.306
 1140    H    GLN 108           H        GLN 108   0.351  21.368  -1.474
 1141    HA   GLN 108           HA       GLN 108   0.198  23.470  -2.265
 1142   1HB   GLN 108          1HB       GLN 108  -1.167  23.851   0.362
 1143   2HB   GLN 108          2HB       GLN 108  -0.924  25.197  -0.736
 1144   1HG   GLN 108          1HG       GLN 108  -2.329  22.662  -1.532
 1145   2HG   GLN 108          2HG       GLN 108  -3.169  24.048  -0.838
 1146   1HE2  GLN 108          1HE2      GLN 108  -1.454  25.993  -2.137
 1147   2HE2  GLN 108          2HE2      GLN 108  -1.925  26.013  -3.803
 1148    H    LYS 109           H        LYS 109   2.199  24.076  -2.544
 1149    HA   LYS 109           HA       LYS 109   4.020  24.729  -0.433
 1150   1HB   LYS 109          1HB       LYS 109   4.156  25.293  -3.405
 1151   2HB   LYS 109          2HB       LYS 109   5.481  25.531  -2.275
 1152   1HG   LYS 109          1HG       LYS 109   5.570  23.158  -1.826
 1153   2HG   LYS 109          2HG       LYS 109   4.171  22.886  -2.869
 1154   1HD   LYS 109          1HD       LYS 109   5.412  23.655  -4.796
 1155   2HD   LYS 109          2HD       LYS 109   6.794  24.067  -3.777
 1156   1HE   LYS 109          1HE       LYS 109   7.096  21.731  -3.201
 1157   2HE   LYS 109          2HE       LYS 109   5.668  21.294  -4.140
 1158   1HZ   LYS 109          1HZ       LYS 109   8.132  22.526  -5.254
 1159   2HZ   LYS 109          2HZ       LYS 109   6.774  22.029  -6.138
 1160   3HZ   LYS 109          3HZ       LYS 109   7.740  20.880  -5.344
 1161    H    LYS 110           H        LYS 110   1.833  26.424  -2.514
 1162    HA   LYS 110           HA       LYS 110   2.422  28.923  -1.080
 1163   1HB   LYS 110          1HB       LYS 110   1.545  30.074  -3.151
 1164   2HB   LYS 110          2HB       LYS 110   3.091  29.260  -3.347
 1165   1HG   LYS 110          1HG       LYS 110   2.074  27.445  -4.511
 1166   2HG   LYS 110          2HG       LYS 110   0.456  28.040  -4.136
 1167   1HD   LYS 110          1HD       LYS 110   2.478  29.527  -5.809
 1168   2HD   LYS 110          2HD       LYS 110   1.186  28.518  -6.465
 1169   1HE   LYS 110          1HE       LYS 110  -0.455  29.949  -5.269
 1170   2HE   LYS 110          2HE       LYS 110   0.873  31.000  -4.783
 1171   1HZ   LYS 110          1HZ       LYS 110   0.253  30.390  -7.618
 1172   2HZ   LYS 110          2HZ       LYS 110   1.268  31.610  -7.014
 1173   3HZ   LYS 110          3HZ       LYS 110  -0.410  31.714  -6.790
 1174    H    ALA 111           H        ALA 111   0.655  30.152  -0.434
 1175    HA   ALA 111           HA       ALA 111  -2.007  29.019  -0.920
 1176   1HB   ALA 111          1HB       ALA 111  -2.625  29.349   1.421
 1177   2HB   ALA 111          2HB       ALA 111  -0.981  29.870   1.789
 1178   3HB   ALA 111          3HB       ALA 111  -1.285  28.210   1.273
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  29.904   2.692  -1.188
    2   2H5*    G   1          2H5*        G   1  29.830   1.116  -0.379
    3    H4*    G   1           H4*        G   1  29.698   2.850   1.253
    4    H3*    G   1           H3*        G   1  27.942   0.796   1.284
    5    H1*    G   1           H1*        G   1  26.728   4.449   1.706
    6    H8     G   1           H8         G   1  26.312   3.270  -1.969
    7    H1     G   1           H1         G   1  22.618   8.195  -0.143
    8   1H2     G   1          1H2         G   1  22.974   8.661   1.985
    9   2H2     G   1          2H2         G   1  24.124   7.766   2.954
   10    H5T    G   1           H5T        G   1  28.328   1.957  -2.342
   11   1H2*    G   1          1H2*        G   1  26.104   1.871   0.195
   12   2H2*    G   1          2H2*        G   1  25.748   2.273   1.870
   13   1H5*    G   2          1H5*        G   2  26.360   4.657   3.166
   14   2H5*    G   2          2H5*        G   2  27.250   4.204   4.633
   15    H4*    G   2           H4*        G   2  25.786   5.575   5.618
   16    H3*    G   2           H3*        G   2  25.000   3.102   6.216
   17    H1*    G   2           H1*        G   2  22.342   5.542   4.716
   18    H8     G   2           H8         G   2  23.696   2.920   2.214
   19    H1     G   2           H1         G   2  19.201   6.907  -0.045
   20   1H2     G   2          1H2         G   2  18.670   8.399   1.494
   21   2H2     G   2          2H2         G   2  19.420   8.411   3.075
   22   1H2*    G   2          1H2*        G   2  23.480   2.738   4.395
   23   2H2*    G   2          2H2*        G   2  22.377   3.341   5.624
   24   1H5*    C   3          1H5*        C   3  22.023   6.812   7.401
   25   2H5*    C   3          2H5*        C   3  21.320   6.319   8.955
   26    H4*    C   3           H4*        C   3  19.774   7.630   7.587
   27    H3*    C   3           H3*        C   3  19.047   5.433   9.025
   28    H1*    C   3           H1*        C   3  17.846   6.061   5.425
   29   1H4     C   3          1H4         C   3  19.257   2.073   0.720
   30   2H4     C   3          2H4         C   3  20.426   1.213   1.700
   31    H5     C   3           H5         C   3  20.932   1.835   3.988
   32    H6     C   3           H6         C   3  20.425   3.403   5.787
   33   1H2*    C   3          1H2*        C   3  18.974   3.859   7.226
   34   2H2*    C   3          2H2*        C   3  17.327   4.469   7.166
   35   1H5*    T   4          1H5*        T   4  16.158   8.379   7.144
   36   2H5*    T   4          2H5*        T   4  15.071   8.875   8.458
   37    H4*    T   4           H4*        T   4  14.014   9.513   6.466
   38    H3*    T   4           H3*        T   4  12.638   7.907   8.141
   39   1H2*    T   4          1H2*        T   4  13.052   5.811   7.060
   40   2H2*    T   4          2H2*        T   4  11.572   6.297   6.243
   41    H1*    T   4           H1*        T   4  12.737   7.162   4.340
   42    H3     T   4           H3         T   4  14.286   3.735   1.961
   43   1H5M    T   4          1H5M        T   4  17.249   3.214   6.030
   44   2H5M    T   4          2H5M        T   4  15.803   2.792   6.977
   45   3H5M    T   4          3H5M        T   4  16.293   1.775   5.601
   46    H6     T   4           H6         T   4  14.943   5.092   6.488
   47   1H5*    C   5          1H5*        C   5  10.986   9.549   4.660
   48   2H5*    C   5          2H5*        C   5   9.432  10.346   4.336
   49    H4*    C   5           H4*        C   5   9.993   9.153   2.393
   50    H3*    C   5           H3*        C   5   7.635   8.465   3.771
   51    H1*    C   5           H1*        C   5  10.054   6.137   1.821
   52   1H4     C   5          1H4         C   5  12.124   0.919   4.770
   53   2H4     C   5          2H4         C   5  11.919   1.651   6.346
   54    H5     C   5           H5         C   5  11.015   3.873   6.654
   55    H6     C   5           H6         C   5  10.151   5.850   5.521
   56   1H2*    C   5          1H2*        C   5   8.091   6.191   4.156
   57   2H2*    C   5          2H2*        C   5   7.768   6.024   2.434
   58   1H5*    A   6          1H5*        A   6   7.247   8.366  -0.878
   59   2H5*    A   6          2H5*        A   6   5.642   8.791  -1.509
   60    H4*    A   6           H4*        A   6   6.325   6.711  -2.448
   61    H3*    A   6           H3*        A   6   3.897   6.932  -1.037
   62    H1*    A   6           H1*        A   6   6.304   3.947  -1.294
   63    H8     A   6           H8         A   6   6.048   5.308   2.342
   64   1H6     A   6          1H6         A   6   8.831   0.023   3.968
   65   2H6     A   6          2H6         A   6   8.163   1.535   4.545
   66    H2     A   6           H2         A   6   8.354   0.031  -0.498
   67   1H2*    A   6          1H2*        A   6   4.339   5.311   0.617
   68   2H2*    A   6          2H2*        A   6   3.987   4.189  -0.690
   69   1H5*    G   7          1H5*        G   7   5.453   3.502  -3.800
   70   2H5*    G   7          2H5*        G   7   4.161   3.553  -5.019
   71    H4*    G   7           H4*        G   7   5.210   1.453  -5.235
   72    H3*    G   7           H3*        G   7   2.551   1.508  -4.890
   73    H1*    G   7           H1*        G   7   4.695  -0.899  -2.743
   74    H8     G   7           H8         G   7   3.691   2.310  -0.798
   75    H1     G   7           H1         G   7   6.089  -2.520   2.687
   76   1H2     G   7          1H2         G   7   6.649  -4.192   1.360
   77   2H2     G   7          2H2         G   7   6.426  -4.118  -0.373
   78   1H2*    G   7          1H2*        G   7   2.487   1.195  -2.516
   79   2H2*    G   7          2H2*        G   7   2.362  -0.471  -3.063
   80   1H5*    G   8          1H5*        G   8   5.427  -2.663  -4.070
   81   2H5*    G   8          2H5*        G   8   4.825  -2.802  -5.737
   82    H4*    G   8           H4*        G   8   5.414  -4.973  -5.194
   83    H3*    G   8           H3*        G   8   2.824  -4.594  -5.774
   84    H1*    G   8           H1*        G   8   3.625  -6.324  -2.207
   85    H8     G   8           H8         G   8   2.472  -2.662  -2.605
   86    H1     G   8           H1         G   8   3.328  -4.675   3.433
   87   1H2     G   8          1H2         G   8   4.146  -6.714   3.435
   88   2H2     G   8          2H2         G   8   4.487  -7.589   1.961
   89   1H2*    G   8          1H2*        G   8   1.783  -4.497  -3.676
   90   2H2*    G   8          2H2*        G   8   1.914  -6.249  -3.735
   91   1H5*    G   9          1H5*        G   9   3.876  -7.433  -3.382
   92   2H5*    G   9          2H5*        G   9   4.202  -9.004  -4.145
   93    H4*    G   9           H4*        G   9   3.992  -9.772  -2.066
   94    H3*    G   9           H3*        G   9   1.582 -10.181  -3.361
   95    H1*    G   9           H1*        G   9   2.001  -9.068   0.299
   96    H8     G   9           H8         G   9   0.642  -6.197  -1.929
   97    H1     G   9           H1         G   9   0.142  -5.326   4.414
   98   1H2     G   9          1H2         G   9   0.969  -7.065   5.484
   99   2H2     G   9          2H2         G   9   1.647  -8.441   4.642
  100   1H2*    G   9          1H2*        G   9   0.287  -8.574  -2.188
  101   2H2*    G   9          2H2*        G   9   0.173  -9.897  -1.036
  102   1H5*    C  10          1H5*        C  10   3.109 -12.364   0.115
  103   2H5*    C  10          2H5*        C  10   2.794 -14.108   0.241
  104    H4*    C  10           H4*        C  10   3.251 -13.211   2.413
  105    H3*    C  10           H3*        C  10   1.136 -14.832   2.001
  106    H1*    C  10           H1*        C  10   0.716 -11.538   4.022
  107   1H4     C  10          1H4         C  10  -3.063  -7.001   1.746
  108   2H4     C  10          2H4         C  10  -2.753  -7.478   0.089
  109    H5     C  10           H5         C  10  -1.339  -9.361  -0.493
  110    H6     C  10           H6         C  10   0.043 -11.164   0.393
  111   1H2*    C  10          1H2*        C  10  -0.579 -13.178   1.804
  112   2H2*    C  10          2H2*        C  10  -0.620 -13.450   3.541
  113   1H5*    C  11          1H5*        C  11   1.266 -12.094   6.284
  114   2H5*    C  11          2H5*        C  11   1.896 -13.633   6.907
  115    H4*    C  11           H4*        C  11   0.994 -12.545   8.760
  116    H3*    C  11           H3*        C  11   0.003 -14.978   8.219
  117    H1*    C  11           H1*        C  11  -2.592 -11.992   8.703
  118   1H4     C  11          1H4         C  11  -5.511 -10.219   3.374
  119   2H4     C  11          2H4         C  11  -4.729 -11.491   2.461
  120    H5     C  11           H5         C  11  -3.041 -12.946   3.410
  121    H6     C  11           H6         C  11  -1.832 -13.530   5.440
  122   1H2*    C  11          1H2*        C  11  -1.984 -14.444   7.057
  123   2H2*    C  11          2H2*        C  11  -2.619 -14.324   8.692
  124   1H5*    A  12          1H5*        A  12  -2.547 -11.795  10.760
  125   2H5*    A  12          2H5*        A  12  -1.902 -12.595  12.207
  126    H4*    A  12           H4*        A  12  -3.732 -11.676  13.128
  127    H3*    A  12           H3*        A  12  -4.128 -14.314  12.926
  128    H1*    A  12           H1*        A  12  -6.912 -11.916  11.425
  129    H8     A  12           H8         A  12  -4.813 -13.993   8.978
  130   1H6     A  12          1H6         A  12  -7.870 -11.009   4.507
  131   2H6     A  12          2H6         A  12  -6.737 -12.293   4.869
  132    H2     A  12           H2         A  12  -8.982  -9.138   8.435
  133   1H2*    A  12          1H2*        A  12  -5.333 -14.437  10.886
  134   2H2*    A  12          2H2*        A  12  -6.686 -14.181  11.978
  135   1H5*    C  13          1H5*        C  13  -6.783 -11.151  13.849
  136   2H5*    C  13          2H5*        C  13  -7.736 -11.241  15.345
  137    H4*    C  13           H4*        C  13  -8.671  -9.577  13.911
  138    H3*    C  13           H3*        C  13 -10.241 -11.518  15.019
  139    H1*    C  13           H1*        C  13 -10.609 -10.302  11.406
  140   1H4     C  13          1H4         C  13 -10.045 -14.261   6.513
  141   2H4     C  13          2H4         C  13  -9.082 -15.394   7.439
  142    H5     C  13           H5         C  13  -8.506 -15.031   9.770
  143    H6     C  13           H6         C  13  -8.764 -13.522  11.673
  144   1H2*    C  13          1H2*        C  13 -10.522 -12.871  13.067
  145   2H2*    C  13          2H2*        C  13 -11.871 -11.761  12.868
  146   1H5*    A  14          1H5*        A  14 -12.281  -8.457  12.487
  147   2H5*    A  14          2H5*        A  14 -12.896  -7.323  13.706
  148    H4*    A  14           H4*        A  14 -14.307  -6.761  12.069
  149    H3*    A  14           H3*        A  14 -15.697  -8.243  13.810
  150    H1*    A  14           H1*        A  14 -15.827  -9.250   9.999
  151    H8     A  14           H8         A  14 -13.491 -11.375  12.253
  152   1H6     A  14          1H6         A  14 -13.000 -15.109   7.347
  153   2H6     A  14          2H6         A  14 -12.546 -14.861   9.019
  154    H2     A  14           H2         A  14 -15.562 -11.612   6.180
  155   1H2*    A  14          1H2*        A  14 -15.506 -10.389  12.790
  156   2H2*    A  14          2H2*        A  14 -16.961  -9.818  11.983
  157   1H5*    G  15          1H5*        G  15 -17.285  -6.960   9.770
  158   2H5*    G  15          2H5*        G  15 -18.517  -5.781  10.261
  159    H4*    G  15           H4*        G  15 -19.028  -6.171   8.050
  160    H3*    G  15           H3*        G  15 -20.985  -6.843   9.727
  161    H1*    G  15           H1*        G  15 -19.791  -9.634   7.157
  162    H8     G  15           H8         G  15 -18.388  -9.755  10.769
  163    H1     G  15           H1         G  15 -17.155 -14.871   7.088
  164   1H2     G  15          1H2         G  15 -17.972 -14.561   5.064
  165   2H2     G  15          2H2         G  15 -18.826 -13.102   4.615
  166    H3T    G  15           H3T        G  15 -21.795  -7.689   7.350
  167   1H2*    G  15          1H2*        G  15 -20.561  -9.156  10.036
  168   2H2*    G  15          2H2*        G  15 -21.585  -9.263   8.613
  169   1H5*    C  16          1H5*        C  16 -17.648 -22.258   3.447
  170   2H5*    C  16          2H5*        C  16 -15.899 -22.303   3.164
  171    H4*    C  16           H4*        C  16 -17.586 -20.857   1.701
  172    H3*    C  16           H3*        C  16 -14.943 -21.063   1.581
  173    H1*    C  16           H1*        C  16 -16.392 -17.546   2.637
  174   1H4     C  16          1H4         C  16 -15.950 -15.957   8.752
  175   2H4     C  16          2H4         C  16 -15.089 -17.431   9.131
  176    H5     C  16           H5         C  16 -14.647 -19.153   7.496
  177    H6     C  16           H6         C  16 -14.931 -19.811   5.166
  178    H5T    C  16           H5T        C  16 -17.196 -20.520   4.960
  179   1H2*    C  16          1H2*        C  16 -14.329 -19.631   3.396
  180   2H2*    C  16          2H2*        C  16 -14.299 -18.475   2.072
  181   1H5*    T  17          1H5*        T  17 -16.956 -17.543  -0.489
  182   2H5*    T  17          2H5*        T  17 -16.269 -17.053  -2.052
  183    H4*    T  17           H4*        T  17 -17.155 -15.136  -0.942
  184    H3*    T  17           H3*        T  17 -14.564 -15.167  -1.900
  185   1H2*    T  17          1H2*        T  17 -13.404 -15.150   0.163
  186   2H2*    T  17          2H2*        T  17 -13.734 -13.426   0.049
  187    H1*    T  17           H1*        T  17 -15.676 -13.556   1.441
  188    H3     T  17           H3         T  17 -14.256 -14.101   5.629
  189   1H5M    T  17          1H5M        T  17 -12.969 -18.643   3.624
  190   2H5M    T  17          2H5M        T  17 -11.771 -17.808   4.642
  191   3H5M    T  17          3H5M        T  17 -11.629 -17.748   2.868
  192    H6     T  17           H6         T  17 -13.643 -16.651   1.646
  193   1H5*    G  18          1H5*        G  18 -16.184 -12.137   1.269
  194   2H5*    G  18          2H5*        G  18 -16.936 -11.663  -0.269
  195    H4*    G  18           H4*        G  18 -17.436  -9.799   0.855
  196    H3*    G  18           H3*        G  18 -15.427  -9.172  -0.763
  197    H1*    G  18           H1*        G  18 -14.682  -8.606   3.186
  198    H8     G  18           H8         G  18 -13.536 -11.726   1.203
  199    H1     G  18           H1         G  18 -11.488 -11.337   7.273
  200   1H2     G  18          1H2         G  18 -12.331  -9.550   8.245
  201   2H2     G  18          2H2         G  18 -13.400  -8.447   7.407
  202   1H2*    G  18          1H2*        G  18 -13.513  -9.452   0.586
  203   2H2*    G  18          2H2*        G  18 -13.932  -7.842   1.156
  204   1H5*    T  19          1H5*        T  19 -15.661  -7.188   2.605
  205   2H5*    T  19          2H5*        T  19 -16.464  -5.606   2.657
  206    H4*    T  19           H4*        T  19 -15.211  -5.322   4.478
  207    H3*    T  19           H3*        T  19 -13.848  -4.144   2.312
  208   1H2*    T  19          1H2*        T  19 -11.872  -5.414   2.401
  209   2H2*    T  19          2H2*        T  19 -11.530  -4.438   3.824
  210    H1*    T  19           H1*        T  19 -12.359  -6.072   5.342
  211    H3     T  19           H3         T  19  -9.357  -9.362   5.486
  212   1H5M    T  19          1H5M        T  19  -9.415  -9.234   0.643
  213   2H5M    T  19          2H5M        T  19 -10.505 -10.579   1.057
  214   3H5M    T  19          3H5M        T  19 -11.170  -9.063   0.405
  215    H6     T  19           H6         T  19 -11.985  -7.530   1.949
  216   1H5*    G  20          1H5*        G  20 -12.989  -3.681   6.332
  217   2H5*    G  20          2H5*        G  20 -12.915  -2.138   7.207
  218    H4*    G  20           H4*        G  20 -11.480  -3.509   8.381
  219    H3*    G  20           H3*        G  20 -10.248  -1.385   6.995
  220    H1*    G  20           H1*        G  20  -8.941  -4.889   7.783
  221    H8     G  20           H8         G  20  -9.676  -4.672   3.981
  222    H1     G  20           H1         G  20  -5.341  -9.053   5.799
  223   1H2     G  20          1H2         G  20  -4.973  -8.886   7.970
  224   2H2     G  20          2H2         G  20  -5.798  -7.707   8.965
  225   1H2*    G  20          1H2*        G  20  -8.805  -2.695   5.653
  226   2H2*    G  20          2H2*        G  20  -7.887  -2.816   7.149
  227   1H5*    G  21          1H5*        G  21  -7.825  -4.266   9.393
  228   2H5*    G  21          2H5*        G  21  -8.020  -3.337  10.894
  229    H4*    G  21           H4*        G  21  -6.230  -4.509  11.531
  230    H3*    G  21           H3*        G  21  -5.367  -2.035  10.945
  231    H1*    G  21           H1*        G  21  -3.481  -5.109   9.486
  232    H8     G  21           H8         G  21  -5.619  -3.210   6.881
  233    H1     G  21           H1         G  21  -2.139  -8.112   4.628
  234   1H2     G  21          1H2         G  21  -1.135  -9.155   6.290
  235   2H2     G  21          2H2         G  21  -1.312  -8.643   7.954
  236   1H2*    G  21          1H2*        G  21  -4.658  -2.413   8.689
  237   2H2*    G  21          2H2*        G  21  -3.161  -2.745   9.550
  238   1H5*    C  22          1H5*        C  22  -2.747  -5.105  12.102
  239   2H5*    C  22          2H5*        C  22  -1.910  -5.067  13.668
  240    H4*    C  22           H4*        C  22  -0.522  -6.453  12.560
  241    H3*    C  22           H3*        C  22   0.559  -3.876  12.708
  242    H1*    C  22           H1*        C  22   0.781  -6.301   9.623
  243   1H4     C  22          1H4         C  22  -1.330  -3.913   4.145
  244   2H4     C  22          2H4         C  22  -2.099  -2.568   4.954
  245    H5     C  22           H5         C  22  -2.056  -2.272   7.348
  246    H6     C  22           H6         C  22  -1.255  -3.198   9.458
  247   1H2*    C  22          1H2*        C  22   0.736  -3.372  10.430
  248   2H2*    C  22          2H2*        C  22   2.069  -4.519  10.452
  249   1H5*    C  23          1H5*        C  23   1.835  -7.493  10.539
  250   2H5*    C  23          2H5*        C  23   2.886  -8.054  11.856
  251    H4*    C  23           H4*        C  23   3.472  -9.433  10.108
  252    H3*    C  23           H3*        C  23   5.489  -7.939  10.992
  253    H1*    C  23           H1*        C  23   4.785  -7.946   7.160
  254   1H4     C  23          1H4         C  23   2.388  -2.795   4.387
  255   2H4     C  23          2H4         C  23   1.916  -2.098   5.920
  256    H5     C  23           H5         C  23   2.314  -3.197   8.045
  257    H6     C  23           H6         C  23   3.225  -5.190   9.120
  258   1H2*    C  23          1H2*        C  23   5.229  -6.065   9.512
  259   2H2*    C  23          2H2*        C  23   6.416  -7.017   8.630
  260   1H5*    C  24          1H5*        C  24   5.636  -9.080   6.182
  261   2H5*    C  24          2H5*        C  24   6.577 -10.481   6.741
  262    H4*    C  24           H4*        C  24   7.473 -10.251   4.680
  263    H3*    C  24           H3*        C  24   9.268  -9.523   6.521
  264    H1*    C  24           H1*        C  24   8.600  -7.098   3.532
  265   1H4     C  24          1H4         C  24   5.415  -1.718   4.536
  266   2H4     C  24          2H4         C  24   5.409  -1.983   6.264
  267    H5     C  24           H5         C  24   6.310  -3.980   7.294
  268    H6     C  24           H6         C  24   7.400  -6.122   6.877
  269   1H2*    C  24          1H2*        C  24   8.848  -7.169   6.564
  270   2H2*    C  24          2H2*        C  24  10.122  -7.237   5.355
  271   1H5*    T  25          1H5*        T  25   8.995  -7.845   2.369
  272   2H5*    T  25          2H5*        T  25   9.880  -9.320   1.931
  273    H4*    T  25           H4*        T  25  10.046  -8.297  -0.049
  274    H3*    T  25           H3*        T  25  12.438  -8.105   1.126
  275   1H2*    T  25          1H2*        T  25  12.245  -5.959   2.148
  276   2H2*    T  25          2H2*        T  25  12.883  -5.474   0.583
  277    H1*    T  25           H1*        T  25  10.783  -4.787  -0.236
  278    H3     T  25           H3         T  25   8.877  -1.417   1.994
  279   1H5M    T  25          1H5M        T  25   9.267  -4.147   5.969
  280   2H5M    T  25          2H5M        T  25  10.836  -4.912   5.620
  281   3H5M    T  25          3H5M        T  25  10.754  -3.169   5.976
  282    H6     T  25           H6         T  25  10.904  -5.508   3.376
  283   1H5*    G  26          1H5*        G  26  11.675  -6.522  -2.658
  284   2H5*    G  26          2H5*        G  26  12.549  -6.631  -4.201
  285    H4*    G  26           H4*        G  26  11.644  -4.505  -4.224
  286    H3*    G  26           H3*        G  26  14.457  -4.632  -4.021
  287    H1*    G  26           H1*        G  26  12.000  -2.062  -2.583
  288    H8     G  26           H8         G  26  13.533  -4.179   0.284
  289    H1     G  26           H1         G  26  11.322   1.622   1.928
  290   1H2     G  26          1H2         G  26  10.579   2.680   0.146
  291   2H2     G  26          2H2         G  26  10.620   1.964  -1.449
  292   1H2*    G  26          1H2*        G  26  14.680  -3.427  -2.004
  293   2H2*    G  26          2H2*        G  26  14.365  -2.044  -3.042
  294   1H5*    A  27          1H5*        A  27  11.960  -1.459  -5.591
  295   2H5*    A  27          2H5*        A  27  12.288  -1.312  -7.330
  296    H4*    A  27           H4*        A  27  11.059   0.575  -6.842
  297    H3*    A  27           H3*        A  27  13.527   1.057  -7.789
  298    H1*    A  27           H1*        A  27  12.417   2.896  -4.419
  299    H8     A  27           H8         A  27  14.600  -0.309  -4.157
  300   1H6     A  27          1H6         A  27  15.544   1.450   1.696
  301   2H6     A  27          2H6         A  27  15.899   0.244   0.480
  302    H2     A  27           H2         A  27  12.848   4.473  -0.248
  303   1H2*    A  27          1H2*        A  27  14.727   1.568  -5.818
  304   2H2*    A  27          2H2*        A  27  14.023   3.158  -6.077
  305   1H5*    G  28          1H5*        G  28  11.848   4.136  -5.886
  306   2H5*    G  28          2H5*        G  28  11.115   5.464  -6.810
  307    H4*    G  28           H4*        G  28  11.682   6.678  -5.031
  308    H3*    G  28           H3*        G  28  13.736   6.949  -6.937
  309    H1*    G  28           H1*        G  28  14.013   6.783  -3.088
  310    H8     G  28           H8         G  28  15.509   3.643  -4.811
  311    H1     G  28           H1         G  28  17.421   4.734   1.220
  312   1H2     G  28          1H2         G  28  16.504   6.585   1.982
  313   2H2     G  28          2H2         G  28  15.417   7.555   1.013
  314   1H2*    G  28          1H2*        G  28  15.503   6.065  -5.660
  315   2H2*    G  28          2H2*        G  28  15.421   7.618  -4.840
  316   1H5*    C  29          1H5*        C  29  13.103   9.538  -3.418
  317   2H5*    C  29          2H5*        C  29  12.746  11.188  -3.973
  318    H4*    C  29           H4*        C  29  13.418  11.489  -1.788
  319    H3*    C  29           H3*        C  29  14.967  12.715  -3.610
  320    H1*    C  29           H1*        C  29  16.690  10.514  -0.833
  321   1H4     C  29          1H4         C  29  19.540   5.205  -2.753
  322   2H4     C  29          2H4         C  29  18.889   5.356  -4.370
  323    H5     C  29           H5         C  29  17.398   7.148  -5.023
  324    H6     C  29           H6         C  29  16.257   9.166  -4.269
  325   1H2*    C  29          1H2*        C  29  16.736  11.141  -3.800
  326   2H2*    C  29          2H2*        C  29  17.356  12.087  -2.454
  327   1H5*    C  30          1H5*        C  30  16.100  11.555   0.405
  328   2H5*    C  30          2H5*        C  30  15.478  13.057   1.119
  329    H4*    C  30           H4*        C  30  16.428  12.033   2.927
  330    H3*    C  30           H3*        C  30  17.629  14.329   2.338
  331    H1*    C  30           H1*        C  30  19.943  11.140   2.675
  332   1H4     C  30          1H4         C  30  22.371   8.808  -2.672
  333   2H4     C  30          2H4         C  30  21.224   9.681  -3.664
  334    H5     C  30           H5         C  30  19.527  11.146  -2.734
  335    H6     C  30           H6         C  30  18.605  12.066  -0.671
  336    H3T    C  30           H3T        C  30  19.112  13.557   4.236
  337   1H2*    C  30          1H2*        C  30  19.388  13.550   0.930
  338   2H2*    C  30          2H2*        C  30  20.206  13.467   2.484
  339   1H    ASP  10          1H        ASP  10  -4.574  14.673   9.163
  340    HA   ASP  10           HA       ASP  10  -6.360  12.718  10.433
  341   1HB   ASP  10          1HB       ASP  10  -6.244  15.736  10.542
  342   2HB   ASP  10          2HB       ASP  10  -7.593  14.812  11.195
  343    H    GLU  11           H        GLU  11  -6.011  12.835   7.604
  344    HA   GLU  11           HA       GLU  11  -8.503  13.984   6.618
  345   1HB   GLU  11          1HB       GLU  11  -6.211  12.657   5.149
  346   2HB   GLU  11          2HB       GLU  11  -7.614  13.392   4.388
  347   1HG   GLU  11          1HG       GLU  11  -7.004  15.552   5.205
  348   2HG   GLU  11          2HG       GLU  11  -5.665  14.871   6.126
  349    H    LEU  12           H        LEU  12  -9.871  12.626   5.200
  350    HA   LEU  12           HA       LEU  12  -9.890   9.823   6.116
  351   1HB   LEU  12          1HB       LEU  12 -12.213  11.625   5.434
  352   2HB   LEU  12          2HB       LEU  12 -12.361   9.899   5.694
  353    HG   LEU  12           HG       LEU  12 -11.449  11.910   7.755
  354   1HD1  LEU  12          1HD1      LEU  12 -13.585  11.423   8.839
  355   2HD1  LEU  12          2HD1      LEU  12 -14.035  10.380   7.490
  356   3HD1  LEU  12          3HD1      LEU  12 -13.820  12.111   7.231
  357   1HD2  LEU  12          1HD2      LEU  12 -11.615  10.036   9.326
  358   2HD2  LEU  12          2HD2      LEU  12 -10.402   9.735   8.082
  359   3HD2  LEU  12          3HD2      LEU  12 -11.977   8.947   7.986
  360    H    CYS  13           H        CYS  13 -10.464   8.235   4.612
  361    HA   CYS  13           HA       CYS  13  -9.539   8.600   1.995
  362   1HB   CYS  13          1HB       CYS  13 -11.402   6.466   3.056
  363   2HB   CYS  13          2HB       CYS  13 -10.524   6.389   1.532
  364    HG   CYS  13           HG       CYS  13  -9.201   6.303   4.680
  365    HA   PRO  14           HA       PRO  14 -12.995  10.714   0.222
  366   1HB   PRO  14          1HB       PRO  14 -12.185  10.629  -2.346
  367   2HB   PRO  14          2HB       PRO  14 -11.394  11.655  -1.141
  368   1HG   PRO  14          1HG       PRO  14 -10.586   8.936  -2.125
  369   2HG   PRO  14          2HG       PRO  14  -9.585  10.393  -1.942
  370   1HD   PRO  14          1HD       PRO  14  -9.593   8.437  -0.101
  371   2HD   PRO  14          2HD       PRO  14  -9.440  10.147   0.356
  372    H    VAL  15           H        VAL  15 -12.677   7.510   0.261
  373    HA   VAL  15           HA       VAL  15 -15.069   7.177  -1.383
  374    HB   VAL  15           HB       VAL  15 -13.427   6.207  -2.740
  375   1HG1  VAL  15          1HG1      VAL  15 -11.665   4.871  -2.190
  376   2HG1  VAL  15          2HG1      VAL  15 -12.391   4.362  -0.674
  377   3HG1  VAL  15          3HG1      VAL  15 -11.736   5.994  -0.832
  378   1HG2  VAL  15          1HG2      VAL  15 -15.421   4.865  -2.593
  379   2HG2  VAL  15          2HG2      VAL  15 -14.746   3.987  -1.221
  380   3HG2  VAL  15          3HG2      VAL  15 -14.010   3.831  -2.816
  381    H    CYS  16           H        CYS  16 -13.153   5.123   0.789
  382    HA   CYS  16           HA       CYS  16 -15.553   3.945   1.829
  383   1HB   CYS  16          1HB       CYS  16 -14.077   2.580   3.215
  384   2HB   CYS  16          2HB       CYS  16 -13.531   2.602   1.543
  385    HG   CYS  16           HG       CYS  16 -11.776   3.105   4.151
  386    H    GLY  17           H        GLY  17 -13.642   6.640   2.725
  387   1HA   GLY  17          1HA       GLY  17 -14.136   8.239   4.331
  388   2HA   GLY  17          2HA       GLY  17 -15.426   7.200   4.916
  389    H    ASP  18           H        ASP  18 -12.554   5.489   4.679
  390    HA   ASP  18           HA       ASP  18 -12.260   5.362   7.531
  391   1HB   ASP  18          1HB       ASP  18 -10.860   4.048   5.224
  392   2HB   ASP  18          2HB       ASP  18 -10.190   3.942   6.849
  393    H    LYS  19           H        LYS  19 -10.264   5.749   8.666
  394    HA   LYS  19           HA       LYS  19  -9.114   8.268   8.132
  395   1HB   LYS  19          1HB       LYS  19  -8.084   6.023   9.878
  396   2HB   LYS  19          2HB       LYS  19  -7.508   7.682   9.914
  397   1HG   LYS  19          1HG       LYS  19  -9.709   8.443  10.635
  398   2HG   LYS  19          2HG       LYS  19 -10.304   6.782  10.578
  399   1HD   LYS  19          1HD       LYS  19  -9.731   7.435  12.862
  400   2HD   LYS  19          2HD       LYS  19  -8.681   6.137  12.289
  401   1HE   LYS  19          1HE       LYS  19  -6.974   7.849  11.716
  402   2HE   LYS  19          2HE       LYS  19  -8.012   9.073  12.446
  403   1HZ   LYS  19          1HZ       LYS  19  -7.845   7.918  14.556
  404   2HZ   LYS  19          2HZ       LYS  19  -6.301   8.310  13.971
  405   3HZ   LYS  19          3HZ       LYS  19  -6.871   6.718  13.854
  406    H    VAL  20           H        VAL  20  -7.313   8.862   7.031
  407    HA   VAL  20           HA       VAL  20  -6.328   7.054   5.079
  408    HB   VAL  20           HB       VAL  20  -4.822   8.857   4.385
  409   1HG1  VAL  20          1HG1      VAL  20  -6.543  10.507   3.813
  410   2HG1  VAL  20          2HG1      VAL  20  -7.627   9.777   4.999
  411   3HG1  VAL  20          3HG1      VAL  20  -7.114   8.855   3.586
  412   1HG2  VAL  20          1HG2      VAL  20  -4.231   9.750   6.576
  413   2HG2  VAL  20          2HG2      VAL  20  -5.881  10.336   6.793
  414   3HG2  VAL  20          3HG2      VAL  20  -4.860  11.024   5.529
  415    H    SER  21           H        SER  21  -4.384   6.072   4.853
  416    HA   SER  21           HA       SER  21  -2.750   5.862   7.286
  417   1HB   SER  21          1HB       SER  21  -3.879   3.805   6.239
  418   2HB   SER  21          2HB       SER  21  -2.731   3.983   4.916
  419    HG   SER  21           HG       SER  21  -1.575   2.734   6.172
  420    H    GLY  22           H        GLY  22  -2.705   7.972   5.211
  421   1HA   GLY  22          1HA       GLY  22  -0.655   9.229   4.858
  422   2HA   GLY  22          2HA       GLY  22   0.129   7.710   4.451
  423    H    TYR  23           H        TYR  23   0.530   9.599   2.705
  424    HA   TYR  23           HA       TYR  23  -1.458   9.657   0.616
  425   1HB   TYR  23          1HB       TYR  23   0.048  11.573   1.076
  426   2HB   TYR  23          2HB       TYR  23   1.428  10.582   0.631
  427    HD1  TYR  23           HD1      TYR  23  -1.658  12.151  -0.689
  428    HD2  TYR  23           HD2      TYR  23   2.091  10.375  -1.621
  429    HE1  TYR  23           HE1      TYR  23  -1.882  12.912  -3.017
  430    HE2  TYR  23           HE2      TYR  23   1.876  11.126  -3.950
  431    HH   TYR  23           HH       TYR  23  -0.354  13.434  -4.941
  432    H    HIS  24           H        HIS  24  -1.736   8.038  -0.803
  433    HA   HIS  24           HA       HIS  24   0.565   6.451  -1.671
  434   1HB   HIS  24          1HB       HIS  24  -1.941   5.173  -0.548
  435   2HB   HIS  24          2HB       HIS  24  -0.571   4.323  -1.248
  436    HD1  HIS  24           HD1      HIS  24   1.795   4.860   0.146
  437    HD2  HIS  24           HD2      HIS  24  -1.830   5.322   2.132
  438    HE1  HIS  24           HE1      HIS  24   2.356   4.802   2.602
  439    HE2  HIS  24           HE2      HIS  24   0.153   5.153   3.790
  440    H    TYR  25           H        TYR  25   0.457   5.943  -3.774
  441    HA   TYR  25           HA       TYR  25  -0.348   5.289  -5.799
  442   1HB   TYR  25          1HB       TYR  25  -2.977   5.274  -4.338
  443   2HB   TYR  25          2HB       TYR  25  -2.872   4.954  -6.064
  444    HD1  TYR  25           HD1      TYR  25  -0.800   3.838  -3.142
  445    HD2  TYR  25           HD2      TYR  25  -3.221   2.726  -6.458
  446    HE1  TYR  25           HE1      TYR  25  -0.343   1.469  -2.675
  447    HE2  TYR  25           HE2      TYR  25  -2.769   0.355  -6.000
  448    HH   TYR  25           HH       TYR  25  -1.021  -0.987  -4.886
  449    H    GLY  26           H        GLY  26  -1.954   7.975  -4.234
  450   1HA   GLY  26          1HA       GLY  26  -1.402   9.893  -6.114
  451   2HA   GLY  26          2HA       GLY  26  -2.905   9.163  -6.663
  452    H    LEU  27           H        LEU  27  -3.716   8.593  -3.868
  453    HA   LEU  27           HA       LEU  27  -4.206  11.330  -2.896
  454   1HB   LEU  27          1HB       LEU  27  -6.169   9.027  -2.882
  455   2HB   LEU  27          2HB       LEU  27  -6.428  10.573  -2.103
  456    HG   LEU  27           HG       LEU  27  -6.130  11.535  -4.513
  457   1HD1  LEU  27          1HD1      LEU  27  -5.419   9.525  -5.622
  458   2HD1  LEU  27          2HD1      LEU  27  -7.018   9.971  -6.222
  459   3HD1  LEU  27          3HD1      LEU  27  -6.848   8.658  -5.053
  460   1HD2  LEU  27          1HD2      LEU  27  -8.167  11.658  -3.191
  461   2HD2  LEU  27          2HD2      LEU  27  -8.582  10.005  -3.652
  462   3HD2  LEU  27          3HD2      LEU  27  -8.539  11.278  -4.874
  463    H    LEU  28           H        LEU  28  -5.266  10.966  -0.509
  464    HA   LEU  28           HA       LEU  28  -3.413   9.206   0.898
  465   1HB   LEU  28          1HB       LEU  28  -5.325  11.316   1.889
  466   2HB   LEU  28          2HB       LEU  28  -4.455  10.238   2.963
  467    HG   LEU  28           HG       LEU  28  -2.351  11.167   1.690
  468   1HD1  LEU  28          1HD1      LEU  28  -4.347  13.395   1.334
  469   2HD1  LEU  28          2HD1      LEU  28  -3.582  12.463   0.047
  470   3HD1  LEU  28          3HD1      LEU  28  -2.606  13.516   1.072
  471   1HD2  LEU  28          1HD2      LEU  28  -2.768  11.377   4.074
  472   2HD2  LEU  28          2HD2      LEU  28  -3.849  12.738   3.777
  473   3HD2  LEU  28          3HD2      LEU  28  -2.130  12.883   3.412
  474    H    THR  29           H        THR  29  -3.998   7.237   1.463
  475    HA   THR  29           HA       THR  29  -6.844   6.613   1.745
  476    HB   THR  29           HB       THR  29  -6.403   4.500   0.390
  477    HG1  THR  29           HG1      THR  29  -4.373   5.872  -0.950
  478   1HG2  THR  29          1HG2      THR  29  -6.759   5.629  -1.767
  479   2HG2  THR  29          2HG2      THR  29  -6.271   7.164  -1.047
  480   3HG2  THR  29          3HG2      THR  29  -7.738   6.356  -0.493
  481    H    CYS  30           H        CYS  30  -7.237   4.545   2.815
  482    HA   CYS  30           HA       CYS  30  -5.318   4.125   4.935
  483   1HB   CYS  30          1HB       CYS  30  -7.071   2.627   5.867
  484   2HB   CYS  30          2HB       CYS  30  -7.660   4.251   5.527
  485    HG   CYS  30           HG       CYS  30  -9.060   1.526   4.687
  486    H    GLU  31           H        GLU  31  -5.208   1.672   5.672
  487    HA   GLU  31           HA       GLU  31  -3.608   0.346   3.779
  488   1HB   GLU  31          1HB       GLU  31  -4.868  -0.619   6.346
  489   2HB   GLU  31          2HB       GLU  31  -3.755  -1.591   5.390
  490   1HG   GLU  31          1HG       GLU  31  -3.174   1.036   6.737
  491   2HG   GLU  31          2HG       GLU  31  -2.547  -0.554   7.175
  492    H    SER  32           H        SER  32  -6.989  -0.062   4.704
  493    HA   SER  32           HA       SER  32  -7.465  -2.420   3.253
  494   1HB   SER  32          1HB       SER  32  -9.889  -1.122   3.284
  495   2HB   SER  32          2HB       SER  32  -9.263  -2.144   4.579
  496    HG   SER  32           HG       SER  32  -9.603  -0.329   5.650
  497    H    CYS  33           H        CYS  33  -7.598   0.991   2.319
  498    HA   CYS  33           HA       CYS  33  -8.709   0.628  -0.239
  499   1HB   CYS  33          1HB       CYS  33  -6.821   2.738   0.816
  500   2HB   CYS  33          2HB       CYS  33  -7.517   2.791  -0.798
  501    HG   CYS  33           HG       CYS  33  -9.268   2.939   2.144
  502    H    LYS  34           H        LYS  34  -5.294   0.891   0.756
  503    HA   LYS  34           HA       LYS  34  -4.170   0.410  -1.764
  504   1HB   LYS  34          1HB       LYS  34  -2.875   1.298   0.119
  505   2HB   LYS  34          2HB       LYS  34  -3.039  -0.231   0.972
  506   1HG   LYS  34          1HG       LYS  34  -1.740  -1.354  -0.741
  507   2HG   LYS  34          2HG       LYS  34  -1.623   0.145  -1.660
  508   1HD   LYS  34          1HD       LYS  34   0.439  -0.133  -0.509
  509   2HD   LYS  34          2HD       LYS  34  -0.441   1.150   0.318
  510   1HE   LYS  34          1HE       LYS  34  -0.608  -1.694   1.259
  511   2HE   LYS  34          2HE       LYS  34   0.746  -0.666   1.723
  512   1HZ   LYS  34          1HZ       LYS  34  -2.117  -0.076   2.233
  513   2HZ   LYS  34          2HZ       LYS  34  -0.811   0.899   2.685
  514   3HZ   LYS  34          3HZ       LYS  34  -1.003  -0.630   3.386
  515    H    GLY  35           H        GLY  35  -5.036  -1.818   0.841
  516   1HA   GLY  35          1HA       GLY  35  -3.995  -4.159  -0.331
  517   2HA   GLY  35          2HA       GLY  35  -5.237  -4.096   0.909
  518    H    PHE  36           H        PHE  36  -7.364  -2.984  -0.218
  519    HA   PHE  36           HA       PHE  36  -8.409  -5.095  -1.760
  520   1HB   PHE  36          1HB       PHE  36  -9.852  -3.760  -0.345
  521   2HB   PHE  36          2HB       PHE  36  -9.482  -2.311  -1.274
  522    HD1  PHE  36           HD1      PHE  36 -11.072  -5.650  -1.505
  523    HD2  PHE  36           HD2      PHE  36 -10.756  -1.735  -3.141
  524    HE1  PHE  36           HE1      PHE  36 -12.990  -6.111  -2.975
  525    HE2  PHE  36           HE2      PHE  36 -12.673  -2.190  -4.612
  526    HZ   PHE  36           HZ       PHE  36 -13.792  -4.381  -4.529
  527    H    PHE  37           H        PHE  37  -7.169  -1.915  -2.651
  528    HA   PHE  37           HA       PHE  37  -7.996  -1.879  -5.318
  529   1HB   PHE  37          1HB       PHE  37  -6.890  -0.004  -3.970
  530   2HB   PHE  37          2HB       PHE  37  -5.356  -0.770  -4.367
  531    HD1  PHE  37           HD1      PHE  37  -8.331   0.876  -5.793
  532    HD2  PHE  37           HD2      PHE  37  -4.362  -0.484  -6.490
  533    HE1  PHE  37           HE1      PHE  37  -8.295   2.095  -7.928
  534    HE2  PHE  37           HE2      PHE  37  -4.318   0.733  -8.627
  535    HZ   PHE  37           HZ       PHE  37  -6.285   2.026  -9.347
  536    H    LYS  38           H        LYS  38  -4.885  -2.994  -3.941
  537    HA   LYS  38           HA       LYS  38  -3.949  -4.043  -6.392
  538   1HB   LYS  38          1HB       LYS  38  -3.142  -4.377  -3.549
  539   2HB   LYS  38          2HB       LYS  38  -2.529  -5.524  -4.733
  540   1HG   LYS  38          1HG       LYS  38  -1.827  -3.455  -6.075
  541   2HG   LYS  38          2HG       LYS  38  -2.072  -2.573  -4.566
  542   1HD   LYS  38          1HD       LYS  38  -0.297  -4.992  -4.859
  543   2HD   LYS  38          2HD       LYS  38   0.272  -3.322  -4.924
  544   1HE   LYS  38          1HE       LYS  38  -1.287  -4.407  -2.598
  545   2HE   LYS  38          2HE       LYS  38   0.472  -4.529  -2.694
  546   1HZ   LYS  38          1HZ       LYS  38   0.577  -2.114  -2.889
  547   2HZ   LYS  38          2HZ       LYS  38  -0.185  -2.579  -1.454
  548   3HZ   LYS  38          3HZ       LYS  38  -1.107  -2.012  -2.756
  549    H    ARG  39           H        ARG  39  -5.703  -5.549  -3.705
  550    HA   ARG  39           HA       ARG  39  -5.688  -8.193  -4.475
  551   1HB   ARG  39          1HB       ARG  39  -7.892  -6.542  -3.250
  552   2HB   ARG  39          2HB       ARG  39  -8.063  -8.270  -3.518
  553   1HG   ARG  39          1HG       ARG  39  -5.917  -6.984  -1.846
  554   2HG   ARG  39          2HG       ARG  39  -7.393  -7.727  -1.223
  555   1HD   ARG  39          1HD       ARG  39  -6.735  -9.863  -2.181
  556   2HD   ARG  39          2HD       ARG  39  -5.276  -9.129  -2.846
  557    HE   ARG  39           HE       ARG  39  -5.332  -8.704  -0.074
  558   1HH1  ARG  39          1HH1      ARG  39  -4.957 -11.291  -2.396
  559   2HH1  ARG  39          2HH1      ARG  39  -3.959 -12.264  -1.348
  560   1HH2  ARG  39          1HH2      ARG  39  -4.028  -9.979   1.315
  561   2HH2  ARG  39          2HH2      ARG  39  -3.446 -11.527   0.767
  562    H    THR  40           H        THR  40  -7.808  -5.633  -5.684
  563    HA   THR  40           HA       THR  40  -9.310  -7.346  -7.383
  564    HB   THR  40           HB       THR  40  -8.977  -4.355  -7.634
  565    HG1  THR  40           HG1      THR  40  -9.706  -4.667  -5.576
  566   1HG2  THR  40          1HG2      THR  40 -10.064  -5.394  -9.551
  567   2HG2  THR  40          2HG2      THR  40 -11.241  -4.479  -8.610
  568   3HG2  THR  40          3HG2      THR  40 -11.186  -6.238  -8.484
  569    H    VAL  41           H        VAL  41  -6.624  -5.076  -7.970
  570    HA   VAL  41           HA       VAL  41  -6.615  -5.485 -10.787
  571    HB   VAL  41           HB       VAL  41  -4.345  -4.415  -9.112
  572   1HG1  VAL  41          1HG1      VAL  41  -3.730  -4.910 -11.415
  573   2HG1  VAL  41          2HG1      VAL  41  -3.776  -3.166 -11.146
  574   3HG1  VAL  41          3HG1      VAL  41  -5.099  -3.962 -11.999
  575   1HG2  VAL  41          1HG2      VAL  41  -5.314  -2.200  -9.499
  576   2HG2  VAL  41          2HG2      VAL  41  -6.394  -3.232  -8.563
  577   3HG2  VAL  41          3HG2      VAL  41  -6.709  -2.951 -10.274
  578    H    GLN  42           H        GLN  42  -4.645  -6.826  -8.140
  579    HA   GLN  42           HA       GLN  42  -2.813  -8.274  -9.689
  580   1HB   GLN  42          1HB       GLN  42  -3.954  -8.793  -6.947
  581   2HB   GLN  42          2HB       GLN  42  -2.738  -9.835  -7.668
  582   1HG   GLN  42          1HG       GLN  42  -1.171  -8.002  -7.763
  583   2HG   GLN  42          2HG       GLN  42  -2.398  -6.889  -7.155
  584   1HE2  GLN  42          1HE2      GLN  42  -0.300  -9.556  -6.355
  585   2HE2  GLN  42          2HE2      GLN  42  -0.410  -9.387  -4.639
  586    H    ASN  43           H        ASN  43  -6.046  -9.088  -8.571
  587    HA   ASN  43           HA       ASN  43  -5.874 -11.736  -9.772
  588   1HB   ASN  43          1HB       ASN  43  -7.983 -10.367  -8.108
  589   2HB   ASN  43          2HB       ASN  43  -8.258 -11.924  -8.876
  590   1HD2  ASN  43          1HD2      ASN  43  -5.170 -10.938  -7.530
  591   2HD2  ASN  43          2HD2      ASN  43  -5.171 -12.076  -6.230
  592    H    ASN  44           H        ASN  44  -6.453  -8.734 -10.871
  593    HA   ASN  44           HA       ASN  44  -7.618  -7.742 -12.536
  594   1HB   ASN  44          1HB       ASN  44  -7.541  -8.968 -14.713
  595   2HB   ASN  44          2HB       ASN  44  -5.999  -8.864 -13.886
  596   1HD2  ASN  44          1HD2      ASN  44  -5.000 -10.706 -13.191
  597   2HD2  ASN  44          2HD2      ASN  44  -5.550 -12.294 -13.617
  598    H    LYS  45           H        LYS  45  -9.340  -8.580 -10.696
  599    HA   LYS  45           HA       LYS  45 -11.482 -10.035 -12.071
  600   1HB   LYS  45          1HB       LYS  45 -12.533 -10.034  -9.752
  601   2HB   LYS  45          2HB       LYS  45 -11.085 -11.006  -9.969
  602   1HG   LYS  45          1HG       LYS  45  -9.753  -9.391  -8.833
  603   2HG   LYS  45          2HG       LYS  45 -11.079  -8.230  -8.816
  604   1HD   LYS  45          1HD       LYS  45 -10.974  -9.150  -6.639
  605   2HD   LYS  45          2HD       LYS  45 -12.366  -9.891  -7.421
  606   1HE   LYS  45          1HE       LYS  45  -9.655 -11.197  -7.282
  607   2HE   LYS  45          2HE       LYS  45 -10.900 -11.431  -6.060
  608   1HZ   LYS  45          1HZ       LYS  45 -10.977 -12.236  -8.913
  609   2HZ   LYS  45          2HZ       LYS  45 -12.364 -12.202  -7.940
  610   3HZ   LYS  45          3HZ       LYS  45 -11.073 -13.229  -7.541
  611    H    HIS  46           H        HIS  46 -13.680  -9.331 -11.832
  612    HA   HIS  46           HA       HIS  46 -14.047  -6.475 -11.249
  613   1HB   HIS  46          1HB       HIS  46 -15.275  -8.051 -13.528
  614   2HB   HIS  46          2HB       HIS  46 -15.855  -6.471 -13.014
  615    HD1  HIS  46           HD1      HIS  46 -14.624  -4.435 -13.886
  616    HD2  HIS  46           HD2      HIS  46 -12.657  -8.011 -14.718
  617    HE1  HIS  46           HE1      HIS  46 -12.761  -3.838 -15.464
  618    HE2  HIS  46           HE2      HIS  46 -11.622  -6.018 -16.009
  619    H    TYR  47           H        TYR  47 -16.121  -5.991 -10.292
  620    HA   TYR  47           HA       TYR  47 -17.168  -8.364  -8.907
  621   1HB   TYR  47          1HB       TYR  47 -17.184  -5.479  -8.002
  622   2HB   TYR  47          2HB       TYR  47 -17.798  -6.848  -7.082
  623    HD1  TYR  47           HD1      TYR  47 -14.821  -5.062  -8.191
  624    HD2  TYR  47           HD2      TYR  47 -16.257  -8.454  -6.065
  625    HE1  TYR  47           HE1      TYR  47 -12.594  -5.380  -7.206
  626    HE2  TYR  47           HE2      TYR  47 -14.030  -8.782  -5.074
  627    HH   TYR  47           HH       TYR  47 -11.473  -6.427  -5.491
  628    H    THR  48           H        THR  48 -19.389  -8.451  -8.372
  629    HA   THR  48           HA       THR  48 -21.111  -7.014 -10.277
  630    HB   THR  48           HB       THR  48 -21.698  -9.530  -8.695
  631    HG1  THR  48           HG1      THR  48 -20.072  -9.708 -10.397
  632   1HG2  THR  48          1HG2      THR  48 -23.716  -8.263  -9.268
  633   2HG2  THR  48          2HG2      THR  48 -23.624  -9.761 -10.194
  634   3HG2  THR  48          3HG2      THR  48 -23.216  -8.226 -10.960
  635    H    CYS  49           H        CYS  49 -22.573  -5.574  -9.531
  636    HA   CYS  49           HA       CYS  49 -22.654  -5.163  -6.632
  637   1HB   CYS  49          1HB       CYS  49 -21.981  -3.232  -7.958
  638   2HB   CYS  49          2HB       CYS  49 -23.456  -3.345  -8.913
  639    HG   CYS  49           HG       CYS  49 -22.996  -2.073  -5.820
  640    H    THR  50           H        THR  50 -24.849  -5.185  -9.430
  641    HA   THR  50           HA       THR  50 -26.988  -5.890  -9.686
  642    HB   THR  50           HB       THR  50 -26.780  -6.976  -6.874
  643    HG1  THR  50           HG1      THR  50 -26.132  -8.863  -7.840
  644   1HG2  THR  50          1HG2      THR  50 -29.096  -6.730  -7.625
  645   2HG2  THR  50          2HG2      THR  50 -28.636  -8.430  -7.539
  646   3HG2  THR  50          3HG2      THR  50 -28.716  -7.617  -9.101
  647    H    GLU  51           H        GLU  51 -26.296  -4.279  -6.630
  648    HA   GLU  51           HA       GLU  51 -28.881  -3.405  -6.014
  649   1HB   GLU  51          1HB       GLU  51 -26.236  -2.089  -5.375
  650   2HB   GLU  51          2HB       GLU  51 -27.765  -1.752  -4.576
  651   1HG   GLU  51          1HG       GLU  51 -26.428  -4.443  -4.591
  652   2HG   GLU  51          2HG       GLU  51 -26.242  -3.248  -3.309
  653    H    SER  52           H        SER  52 -26.254  -1.626  -7.634
  654    HA   SER  52           HA       SER  52 -28.032  -0.177  -9.306
  655   1HB   SER  52          1HB       SER  52 -28.531   0.931  -7.143
  656   2HB   SER  52          2HB       SER  52 -26.832   1.375  -6.997
  657    HG   SER  52           HG       SER  52 -28.552   2.149  -9.130
  658    H    GLN  53           H        GLN  53 -24.867  -0.684  -7.962
  659    HA   GLN  53           HA       GLN  53 -22.782  -0.511  -8.826
  660   1HB   GLN  53          1HB       GLN  53 -24.229   0.413 -11.301
  661   2HB   GLN  53          2HB       GLN  53 -22.475   0.398 -11.190
  662   1HG   GLN  53          1HG       GLN  53 -22.570  -2.029 -10.722
  663   2HG   GLN  53          2HG       GLN  53 -24.316  -1.972 -10.972
  664   1HE2  GLN  53          1HE2      GLN  53 -22.160  -3.382 -12.437
  665   2HE2  GLN  53          2HE2      GLN  53 -22.327  -2.886 -14.088
  666    H    SER  54           H        SER  54 -24.888   2.249  -9.450
  667    HA   SER  54           HA       SER  54 -22.762   4.155  -8.973
  668   1HB   SER  54          1HB       SER  54 -25.742   4.613  -9.265
  669   2HB   SER  54          2HB       SER  54 -24.472   5.828  -9.403
  670    HG   SER  54           HG       SER  54 -23.690   4.229 -11.148
  671    H    CYS  55           H        CYS  55 -23.345   2.299  -6.842
  672    HA   CYS  55           HA       CYS  55 -25.087   3.425  -4.913
  673   1HB   CYS  55          1HB       CYS  55 -22.837   1.452  -4.494
  674   2HB   CYS  55          2HB       CYS  55 -24.199   1.735  -3.414
  675    HG   CYS  55           HG       CYS  55 -25.312  -0.379  -4.385
  676    H    LYS  56           H        LYS  56 -24.459   4.195  -2.797
  677    HA   LYS  56           HA       LYS  56 -22.254   6.087  -3.009
  678   1HB   LYS  56          1HB       LYS  56 -24.426   5.798  -0.923
  679   2HB   LYS  56          2HB       LYS  56 -23.223   7.080  -0.962
  680   1HG   LYS  56          1HG       LYS  56 -25.325   6.565  -3.054
  681   2HG   LYS  56          2HG       LYS  56 -25.354   7.845  -1.840
  682   1HD   LYS  56          1HD       LYS  56 -23.252   8.741  -2.798
  683   2HD   LYS  56          2HD       LYS  56 -23.342   7.511  -4.062
  684   1HE   LYS  56          1HE       LYS  56 -24.213   9.656  -4.841
  685   2HE   LYS  56          2HE       LYS  56 -25.472   8.423  -4.812
  686   1HZ   LYS  56          1HZ       LYS  56 -26.151  10.620  -3.911
  687   2HZ   LYS  56          2HZ       LYS  56 -25.059  10.393  -2.634
  688   3HZ   LYS  56          3HZ       LYS  56 -26.367   9.334  -2.828
  689    H    ILE  57           H        ILE  57 -20.348   5.294  -2.435
  690    HA   ILE  57           HA       ILE  57 -20.126   3.332  -0.320
  691    HB   ILE  57           HB       ILE  57 -18.003   4.697  -1.983
  692   1HG1  ILE  57          1HG1      ILE  57 -19.409   3.141  -3.241
  693   2HG1  ILE  57          2HG1      ILE  57 -17.787   2.486  -3.046
  694   1HG2  ILE  57          1HG2      ILE  57 -17.106   4.107   0.202
  695   2HG2  ILE  57          2HG2      ILE  57 -16.438   3.063  -1.051
  696   3HG2  ILE  57          3HG2      ILE  57 -17.707   2.458   0.017
  697   1HD1  ILE  57          1HD1      ILE  57 -20.215   1.712  -1.442
  698   2HD1  ILE  57          2HD1      ILE  57 -18.590   1.059  -1.230
  699   3HD1  ILE  57          3HD1      ILE  57 -19.469   0.768  -2.731
  700    H    ASP  58           H        ASP  58 -20.249   3.979   1.690
  701    HA   ASP  58           HA       ASP  58 -18.845   6.439   2.476
  702   1HB   ASP  58          1HB       ASP  58 -20.597   7.083   3.910
  703   2HB   ASP  58          2HB       ASP  58 -21.438   6.531   2.465
  704    H    LYS  59           H        LYS  59 -19.168   6.194   5.188
  705    HA   LYS  59           HA       LYS  59 -17.123   4.386   5.850
  706   1HB   LYS  59          1HB       LYS  59 -17.612   6.487   7.057
  707   2HB   LYS  59          2HB       LYS  59 -19.098   5.775   7.667
  708   1HG   LYS  59          1HG       LYS  59 -17.844   4.129   8.909
  709   2HG   LYS  59          2HG       LYS  59 -16.331   4.735   8.229
  710   1HD   LYS  59          1HD       LYS  59 -16.684   6.884   9.311
  711   2HD   LYS  59          2HD       LYS  59 -18.234   6.328   9.945
  712   1HE   LYS  59          1HE       LYS  59 -15.552   5.112  10.584
  713   2HE   LYS  59          2HE       LYS  59 -16.430   6.235  11.621
  714   1HZ   LYS  59          1HZ       LYS  59 -16.827   4.010  12.360
  715   2HZ   LYS  59          2HZ       LYS  59 -17.297   3.512  10.810
  716   3HZ   LYS  59          3HZ       LYS  59 -18.263   4.605  11.683
  717    H    THR  60           H        THR  60 -20.608   4.067   5.865
  718    HA   THR  60           HA       THR  60 -20.462   1.582   7.374
  719    HB   THR  60           HB       THR  60 -22.940   1.520   7.151
  720    HG1  THR  60           HG1      THR  60 -22.446   3.904   5.674
  721   1HG2  THR  60          1HG2      THR  60 -21.787   4.088   8.243
  722   2HG2  THR  60          2HG2      THR  60 -21.896   2.549   9.097
  723   3HG2  THR  60          3HG2      THR  60 -23.365   3.416   8.651
  724    H    GLN  61           H        GLN  61 -21.512   2.604   4.103
  725    HA   GLN  61           HA       GLN  61 -22.023  -0.149   3.365
  726   1HB   GLN  61          1HB       GLN  61 -22.083   2.330   1.641
  727   2HB   GLN  61          2HB       GLN  61 -22.747   0.755   1.226
  728   1HG   GLN  61          1HG       GLN  61 -24.295   0.969   3.155
  729   2HG   GLN  61          2HG       GLN  61 -23.694   2.608   3.395
  730   1HE2  GLN  61          1HE2      GLN  61 -25.665   3.558   3.012
  731   2HE2  GLN  61          2HE2      GLN  61 -26.383   3.618   1.433
  732    H    ARG  62           H        ARG  62 -19.242   1.351   3.760
  733    HA   ARG  62           HA       ARG  62 -17.783   1.257   1.423
  734   1HB   ARG  62          1HB       ARG  62 -15.784   0.974   2.870
  735   2HB   ARG  62          2HB       ARG  62 -16.869   2.243   3.418
  736   1HG   ARG  62          1HG       ARG  62 -17.811   0.634   5.067
  737   2HG   ARG  62          2HG       ARG  62 -16.565  -0.516   4.579
  738   1HD   ARG  62          1HD       ARG  62 -14.835   1.101   5.243
  739   2HD   ARG  62          2HD       ARG  62 -16.102   2.226   5.748
  740    HE   ARG  62           HE       ARG  62 -16.759   0.470   7.392
  741   1HH1  ARG  62          1HH1      ARG  62 -13.471   0.694   6.210
  742   2HH1  ARG  62          2HH1      ARG  62 -12.796  -0.149   7.570
  743   1HH2  ARG  62          1HH2      ARG  62 -15.855  -0.628   9.203
  744   2HH2  ARG  62          2HH2      ARG  62 -14.133  -0.895   9.263
  745    H    LYS  63           H        LYS  63 -18.630  -1.425   3.554
  746    HA   LYS  63           HA       LYS  63 -16.884  -3.198   2.028
  747   1HB   LYS  63          1HB       LYS  63 -17.128  -4.777   3.782
  748   2HB   LYS  63          2HB       LYS  63 -16.893  -3.211   4.539
  749   1HG   LYS  63          1HG       LYS  63 -18.677  -3.660   5.774
  750   2HG   LYS  63          2HG       LYS  63 -19.647  -3.454   4.315
  751   1HD   LYS  63          1HD       LYS  63 -20.136  -5.594   5.402
  752   2HD   LYS  63          2HD       LYS  63 -19.413  -5.837   3.810
  753   1HE   LYS  63          1HE       LYS  63 -17.198  -6.094   4.970
  754   2HE   LYS  63          2HE       LYS  63 -18.075  -6.094   6.499
  755   1HZ   LYS  63          1HZ       LYS  63 -17.636  -8.335   5.771
  756   2HZ   LYS  63          2HZ       LYS  63 -18.406  -8.051   4.287
  757   3HZ   LYS  63          3HZ       LYS  63 -19.309  -8.046   5.723
  758    H    ARG  64           H        ARG  64 -20.008  -2.145   1.779
  759    HA   ARG  64           HA       ARG  64 -21.270  -4.704   1.316
  760   1HB   ARG  64          1HB       ARG  64 -22.322  -1.906   0.876
  761   2HB   ARG  64          2HB       ARG  64 -23.275  -3.381   0.784
  762   1HG   ARG  64          1HG       ARG  64 -22.776  -3.825   3.149
  763   2HG   ARG  64          2HG       ARG  64 -21.890  -2.300   3.227
  764   1HD   ARG  64          1HD       ARG  64 -23.974  -1.132   2.534
  765   2HD   ARG  64          2HD       ARG  64 -24.824  -2.673   2.649
  766    HE   ARG  64           HE       ARG  64 -23.621  -2.380   5.086
  767   1HH1  ARG  64          1HH1      ARG  64 -25.855  -0.484   3.158
  768   2HH1  ARG  64          2HH1      ARG  64 -26.572   0.303   4.536
  769   1HH2  ARG  64          1HH2      ARG  64 -24.581  -1.360   6.905
  770   2HH2  ARG  64          2HH2      ARG  64 -25.866  -0.213   6.655
  771    H    CYS  65           H        CYS  65 -20.108  -2.002  -0.641
  772    HA   CYS  65           HA       CYS  65 -20.550  -3.696  -3.007
  773   1HB   CYS  65          1HB       CYS  65 -20.710  -0.698  -2.750
  774   2HB   CYS  65          2HB       CYS  65 -20.574  -1.512  -4.304
  775    HG   CYS  65           HG       CYS  65 -23.056  -2.648  -2.357
  776    HA   PRO  66           HA       PRO  66 -15.994  -3.385  -2.857
  777   1HB   PRO  66          1HB       PRO  66 -15.681  -5.577  -4.484
  778   2HB   PRO  66          2HB       PRO  66 -15.795  -5.660  -2.723
  779   1HG   PRO  66          1HG       PRO  66 -17.896  -6.161  -4.787
  780   2HG   PRO  66          2HG       PRO  66 -17.581  -7.026  -3.272
  781   1HD   PRO  66          1HD       PRO  66 -19.583  -5.233  -3.522
  782   2HD   PRO  66          2HD       PRO  66 -18.701  -5.462  -1.999
  783    H    PHE  67           H        PHE  67 -18.157  -4.025  -5.564
  784    HA   PHE  67           HA       PHE  67 -16.483  -3.229  -7.665
  785   1HB   PHE  67          1HB       PHE  67 -18.558  -4.466  -8.030
  786   2HB   PHE  67          2HB       PHE  67 -19.499  -3.108  -7.428
  787    HD1  PHE  67           HD1      PHE  67 -20.312  -1.522  -8.903
  788    HD2  PHE  67           HD2      PHE  67 -17.100  -4.039 -10.112
  789    HE1  PHE  67           HE1      PHE  67 -20.474  -0.626 -11.187
  790    HE2  PHE  67           HE2      PHE  67 -17.256  -3.146 -12.397
  791    HZ   PHE  67           HZ       PHE  67 -18.945  -1.438 -12.938
  792    H    CYS  68           H        CYS  68 -18.987  -1.391  -5.925
  793    HA   CYS  68           HA       CYS  68 -18.563   1.026  -7.296
  794   1HB   CYS  68          1HB       CYS  68 -19.687   0.687  -4.511
  795   2HB   CYS  68          2HB       CYS  68 -19.973   2.028  -5.614
  796    HG   CYS  68           HG       CYS  68 -21.554   0.686  -7.362
  797    H    ARG  69           H        ARG  69 -17.120  -0.336  -4.389
  798    HA   ARG  69           HA       ARG  69 -15.732   1.957  -3.522
  799   1HB   ARG  69          1HB       ARG  69 -16.009  -0.141  -2.187
  800   2HB   ARG  69          2HB       ARG  69 -14.852  -0.927  -3.252
  801   1HG   ARG  69          1HG       ARG  69 -13.244   0.951  -2.581
  802   2HG   ARG  69          2HG       ARG  69 -14.382   1.273  -1.274
  803   1HD   ARG  69          1HD       ARG  69 -12.905  -1.300  -1.805
  804   2HD   ARG  69          2HD       ARG  69 -12.633  -0.177  -0.474
  805    HE   ARG  69           HE       ARG  69 -15.244  -0.897  -0.201
  806   1HH1  ARG  69          1HH1      ARG  69 -12.224  -2.656  -0.393
  807   2HH1  ARG  69          2HH1      ARG  69 -12.799  -3.998   0.539
  808   1HH2  ARG  69          1HH2      ARG  69 -15.998  -2.648   1.025
  809   2HH2  ARG  69          2HH2      ARG  69 -14.953  -4.003   1.344
  810    H    PHE  70           H        PHE  70 -14.695  -0.771  -5.546
  811    HA   PHE  70           HA       PHE  70 -12.115   0.171  -6.120
  812   1HB   PHE  70          1HB       PHE  70 -12.702  -2.142  -6.475
  813   2HB   PHE  70          2HB       PHE  70 -13.945  -1.697  -7.638
  814    HD1  PHE  70           HD1      PHE  70 -10.270  -1.309  -7.105
  815    HD2  PHE  70           HD2      PHE  70 -13.460  -1.882  -9.861
  816    HE1  PHE  70           HE1      PHE  70  -8.641  -1.556  -8.933
  817    HE2  PHE  70           HE2      PHE  70 -11.842  -2.129 -11.692
  818    HZ   PHE  70           HZ       PHE  70  -9.427  -1.966 -11.233
  819    H    GLN  71           H        GLN  71 -15.170   0.524  -7.886
  820    HA   GLN  71           HA       GLN  71 -14.142   1.921 -10.085
  821   1HB   GLN  71          1HB       GLN  71 -16.885   1.968  -8.830
  822   2HB   GLN  71          2HB       GLN  71 -16.496   2.800 -10.331
  823   1HG   GLN  71          1HG       GLN  71 -16.300  -0.161  -9.833
  824   2HG   GLN  71          2HG       GLN  71 -17.543   0.662 -10.772
  825   1HE2  GLN  71          1HE2      GLN  71 -15.665   2.535 -11.976
  826   2HE2  GLN  71          2HE2      GLN  71 -14.769   1.633 -13.147
  827    H    LYS  72           H        LYS  72 -15.295   3.090  -6.936
  828    HA   LYS  72           HA       LYS  72 -14.932   5.819  -7.601
  829   1HB   LYS  72          1HB       LYS  72 -16.412   5.013  -5.768
  830   2HB   LYS  72          2HB       LYS  72 -14.968   4.616  -4.841
  831   1HG   LYS  72          1HG       LYS  72 -14.323   6.874  -4.683
  832   2HG   LYS  72          2HG       LYS  72 -15.484   7.369  -5.917
  833   1HD   LYS  72          1HD       LYS  72 -17.204   6.368  -4.249
  834   2HD   LYS  72          2HD       LYS  72 -15.933   6.644  -3.066
  835   1HE   LYS  72          1HE       LYS  72 -15.827   8.984  -3.717
  836   2HE   LYS  72          2HE       LYS  72 -17.057   8.694  -4.948
  837   1HZ   LYS  72          1HZ       LYS  72 -18.621   8.122  -3.175
  838   2HZ   LYS  72          2HZ       LYS  72 -18.027   9.699  -2.989
  839   3HZ   LYS  72          3HZ       LYS  72 -17.435   8.451  -2.005
  840    H    CYS  73           H        CYS  73 -12.790   3.342  -6.338
  841    HA   CYS  73           HA       CYS  73 -10.715   5.025  -5.480
  842   1HB   CYS  73          1HB       CYS  73 -10.524   2.297  -6.781
  843   2HB   CYS  73          2HB       CYS  73  -9.211   3.106  -5.933
  844    HG   CYS  73           HG       CYS  73 -12.162   2.280  -4.417
  845    H    LEU  74           H        LEU  74 -11.382   3.612  -8.674
  846    HA   LEU  74           HA       LEU  74  -9.299   5.035 -10.011
  847   1HB   LEU  74          1HB       LEU  74 -11.854   3.952 -11.181
  848   2HB   LEU  74          2HB       LEU  74 -10.380   4.326 -12.047
  849    HG   LEU  74           HG       LEU  74 -10.552   2.202  -9.923
  850   1HD1  LEU  74          1HD1      LEU  74 -12.076   1.680 -11.724
  851   2HD1  LEU  74          2HD1      LEU  74 -10.666   0.620 -11.783
  852   3HD1  LEU  74          3HD1      LEU  74 -10.803   1.972 -12.908
  853   1HD2  LEU  74          1HD2      LEU  74  -8.536   2.765 -12.093
  854   2HD2  LEU  74          2HD2      LEU  74  -8.477   1.430 -10.943
  855   3HD2  LEU  74          3HD2      LEU  74  -8.319   3.092 -10.374
  856    H    THR  75           H        THR  75 -12.734   5.573  -9.520
  857    HA   THR  75           HA       THR  75 -13.227   7.910 -10.870
  858    HB   THR  75           HB       THR  75 -14.174   6.805  -8.245
  859    HG1  THR  75           HG1      THR  75 -14.996   5.823 -10.069
  860   1HG2  THR  75          1HG2      THR  75 -15.336   9.315  -9.446
  861   2HG2  THR  75          2HG2      THR  75 -14.229   9.300  -8.071
  862   3HG2  THR  75          3HG2      THR  75 -15.806   8.510  -7.939
  863    H    VAL  76           H        VAL  76 -11.950   7.575  -7.583
  864    HA   VAL  76           HA       VAL  76 -11.633  10.326  -7.160
  865    HB   VAL  76           HB       VAL  76 -11.749   8.085  -5.642
  866   1HG1  VAL  76          1HG1      VAL  76  -9.719   7.909  -4.330
  867   2HG1  VAL  76          2HG1      VAL  76  -8.913   9.032  -5.427
  868   3HG1  VAL  76          3HG1      VAL  76  -9.458   7.461  -6.016
  869   1HG2  VAL  76          1HG2      VAL  76 -12.456  10.265  -5.027
  870   2HG2  VAL  76          2HG2      VAL  76 -10.783  10.800  -4.847
  871   3HG2  VAL  76          3HG2      VAL  76 -11.444   9.578  -3.758
  872    H    GLY  77           H        GLY  77  -9.666   7.974  -8.782
  873   1HA   GLY  77          1HA       GLY  77  -8.022   8.883 -10.301
  874   2HA   GLY  77          2HA       GLY  77  -7.665  10.123  -9.111
  875    H    MET  78           H        MET  78  -8.016   6.850  -8.030
  876    HA   MET  78           HA       MET  78  -5.267   6.691  -7.245
  877   1HB   MET  78          1HB       MET  78  -7.455   4.597  -7.290
  878   2HB   MET  78          2HB       MET  78  -5.872   4.373  -6.558
  879   1HG   MET  78          1HG       MET  78  -7.629   6.638  -5.714
  880   2HG   MET  78          2HG       MET  78  -7.877   5.018  -5.070
  881   1HE   MET  78          1HE       MET  78  -6.352   3.819  -3.422
  882   2HE   MET  78          2HE       MET  78  -4.676   4.274  -3.108
  883   3HE   MET  78          3HE       MET  78  -5.159   3.740  -4.720
  884    H    ARG  79           H        ARG  79  -3.651   6.212  -8.570
  885    HA   ARG  79           HA       ARG  79  -3.947   5.408 -11.232
  886   1HB   ARG  79          1HB       ARG  79  -1.591   5.381  -9.360
  887   2HB   ARG  79          2HB       ARG  79  -1.454   4.836 -11.024
  888   1HG   ARG  79          1HG       ARG  79  -2.445   7.568 -10.252
  889   2HG   ARG  79          2HG       ARG  79  -0.756   7.201 -10.607
  890   1HD   ARG  79          1HD       ARG  79  -1.404   6.430 -12.846
  891   2HD   ARG  79          2HD       ARG  79  -3.086   6.815 -12.487
  892    HE   ARG  79           HE       ARG  79  -2.288   9.183 -12.232
  893   1HH1  ARG  79          1HH1      ARG  79  -0.560   6.895 -14.276
  894   2HH1  ARG  79          2HH1      ARG  79   0.109   8.140 -15.292
  895   1HH2  ARG  79          1HH2      ARG  79  -1.429  10.786 -13.582
  896   2HH2  ARG  79          2HH2      ARG  79  -0.372  10.347 -14.891
  897    H    LEU  80           H        LEU  80  -4.534   3.531 -12.035
  898    HA   LEU  80           HA       LEU  80  -4.720   1.149 -10.497
  899   1HB   LEU  80          1HB       LEU  80  -6.097   1.855 -12.530
  900   2HB   LEU  80          2HB       LEU  80  -4.733   1.336 -13.499
  901    HG   LEU  80           HG       LEU  80  -4.971  -0.941 -12.474
  902   1HD1  LEU  80          1HD1      LEU  80  -7.578   0.206 -11.492
  903   2HD1  LEU  80          2HD1      LEU  80  -6.216  -0.274 -10.480
  904   3HD1  LEU  80          3HD1      LEU  80  -7.093  -1.486 -11.414
  905   1HD2  LEU  80          1HD2      LEU  80  -6.834  -1.562 -13.896
  906   2HD2  LEU  80          2HD2      LEU  80  -5.811  -0.369 -14.700
  907   3HD2  LEU  80          3HD2      LEU  80  -7.348   0.124 -13.985
  908    H    GLU  81           H        GLU  81  -2.426   2.451 -12.766
  909    HA   GLU  81           HA       GLU  81  -0.796   0.178 -13.125
  910   1HB   GLU  81          1HB       GLU  81   0.865   1.746 -13.970
  911   2HB   GLU  81          2HB       GLU  81  -0.732   2.157 -14.583
  912   1HG   GLU  81          1HG       GLU  81  -0.895   3.858 -12.753
  913   2HG   GLU  81          2HG       GLU  81   0.798   3.531 -12.392
  914    H    ALA  82           H        ALA  82  -1.353   1.895 -10.323
  915    HA   ALA  82           HA       ALA  82   1.312   1.793  -9.232
  916   1HB   ALA  82          1HB       ALA  82   0.279   2.542  -7.154
  917   2HB   ALA  82          2HB       ALA  82  -1.322   2.288  -7.848
  918   3HB   ALA  82          3HB       ALA  82  -0.258   3.526  -8.514
  919    H    VAL  83           H        VAL  83  -0.771  -0.556  -9.998
  920    HA   VAL  83           HA       VAL  83  -0.119  -2.229  -7.681
  921    HB   VAL  83           HB       VAL  83  -1.993  -2.811  -9.980
  922   1HG1  VAL  83          1HG1      VAL  83  -2.745  -4.698  -8.608
  923   2HG1  VAL  83          2HG1      VAL  83  -1.506  -4.319  -7.412
  924   3HG1  VAL  83          3HG1      VAL  83  -1.039  -4.841  -9.030
  925   1HG2  VAL  83          1HG2      VAL  83  -3.781  -2.469  -8.347
  926   2HG2  VAL  83          2HG2      VAL  83  -2.817  -1.008  -8.564
  927   3HG2  VAL  83          3HG2      VAL  83  -2.587  -2.013  -7.132
  928    H    ARG  84           H        ARG  84   1.958  -2.811  -7.997
  929    HA   ARG  84           HA       ARG  84   2.902  -3.831 -10.523
  930   1HB   ARG  84          1HB       ARG  84   4.239  -2.627  -8.630
  931   2HB   ARG  84          2HB       ARG  84   4.289  -4.215  -7.881
  932   1HG   ARG  84          1HG       ARG  84   6.310  -3.973  -9.054
  933   2HG   ARG  84          2HG       ARG  84   5.316  -5.064 -10.019
  934   1HD   ARG  84          1HD       ARG  84   5.465  -2.101 -10.531
  935   2HD   ARG  84          2HD       ARG  84   6.563  -3.256 -11.284
  936    HE   ARG  84           HE       ARG  84   4.454  -4.338 -12.162
  937   1HH1  ARG  84          1HH1      ARG  84   4.646  -0.905 -11.451
  938   2HH1  ARG  84          2HH1      ARG  84   3.458  -0.463 -12.642
  939   1HH2  ARG  84          1HH2      ARG  84   2.878  -3.755 -13.714
  940   2HH2  ARG  84          2HH2      ARG  84   2.457  -2.080 -13.921
  941    H    ALA  85           H        ALA  85   1.136  -5.398 -10.680
  942    HA   ALA  85           HA       ALA  85   0.751  -7.410  -8.708
  943   1HB   ALA  85          1HB       ALA  85  -0.240  -7.315 -11.551
  944   2HB   ALA  85          2HB       ALA  85  -1.048  -6.602 -10.155
  945   3HB   ALA  85          3HB       ALA  85  -0.855  -8.352 -10.263
  946    H    ASP  86           H        ASP  86   3.169  -7.080 -10.941
  947    HA   ASP  86           HA       ASP  86   3.487  -9.918 -11.486
  948   1HB   ASP  86          1HB       ASP  86   5.474  -9.209 -12.779
  949   2HB   ASP  86          2HB       ASP  86   4.015  -8.363 -13.282
  950    H    ARG  87           H        ARG  87   3.781  -8.414  -8.798
  951    HA   ARG  87           HA       ARG  87   4.833  -8.805  -6.859
  952   1HB   ARG  87          1HB       ARG  87   5.685 -11.132  -8.496
  953   2HB   ARG  87          2HB       ARG  87   6.508 -10.834  -6.978
  954   1HG   ARG  87          1HG       ARG  87   3.523 -11.025  -7.174
  955   2HG   ARG  87          2HG       ARG  87   4.556 -12.433  -6.912
  956   1HD   ARG  87          1HD       ARG  87   4.402  -9.986  -5.146
  957   2HD   ARG  87          2HD       ARG  87   3.695 -11.564  -4.797
  958    HE   ARG  87           HE       ARG  87   6.558 -11.574  -5.270
  959   1HH1  ARG  87          1HH1      ARG  87   3.989 -11.395  -2.887
  960   2HH1  ARG  87          2HH1      ARG  87   5.012 -11.842  -1.554
  961   1HH2  ARG  87          1HH2      ARG  87   7.909 -12.179  -3.516
  962   2HH2  ARG  87          2HH2      ARG  87   7.229 -12.322  -1.920
  963    H    MET  88           H        MET  88   5.820  -6.694  -7.533
  964    HA   MET  88           HA       MET  88   8.663  -6.934  -6.972
  965   1HB   MET  88          1HB       MET  88   8.601  -6.718  -9.413
  966   2HB   MET  88          2HB       MET  88   7.606  -5.276  -9.273
  967   1HG   MET  88          1HG       MET  88   9.951  -4.758  -9.745
  968   2HG   MET  88          2HG       MET  88   9.406  -4.080  -8.212
  969   1HE   MET  88          1HE       MET  88  13.190  -4.932  -7.570
  970   2HE   MET  88          2HE       MET  88  11.964  -3.664  -7.568
  971   3HE   MET  88          3HE       MET  88  12.480  -4.389  -9.092
  972    H    ARG  89           H        ARG  89   9.121  -5.619  -5.324
  973    HA   ARG  89           HA       ARG  89   7.036  -3.764  -4.511
  974   1HB   ARG  89          1HB       ARG  89   9.393  -4.865  -2.977
  975   2HB   ARG  89          2HB       ARG  89   8.164  -3.794  -2.309
  976   1HG   ARG  89          1HG       ARG  89   6.467  -5.532  -3.047
  977   2HG   ARG  89          2HG       ARG  89   7.839  -6.607  -3.298
  978   1HD   ARG  89          1HD       ARG  89   8.379  -6.622  -1.017
  979   2HD   ARG  89          2HD       ARG  89   7.374  -5.209  -0.685
  980    HE   ARG  89           HE       ARG  89   5.570  -6.971  -1.580
  981   1HH1  ARG  89          1HH1      ARG  89   8.063  -7.250   0.855
  982   2HH1  ARG  89          2HH1      ARG  89   7.197  -8.440   1.774
  983   1HH2  ARG  89          1HH2      ARG  89   4.424  -8.516  -0.352
  984   2HH2  ARG  89          2HH2      ARG  89   5.137  -9.156   1.102
  985    H    GLY  90           H        GLY  90   7.953  -2.522  -6.465
  986   1HA   GLY  90          1HA       GLY  90  10.255  -0.871  -5.847
  987   2HA   GLY  90          2HA       GLY  90   9.247  -0.769  -7.285
  988    H    GLY  91           H        GLY  91  10.220   1.019  -4.844
  989   1HA   GLY  91          1HA       GLY  91   7.870   1.972  -3.596
  990   2HA   GLY  91          2HA       GLY  91   9.420   2.795  -3.636
  991    H    ARG  92           H        ARG  92   9.376   2.822  -6.638
  992    HA   ARG  92           HA       ARG  92   7.150   4.689  -7.043
  993   1HB   ARG  92          1HB       ARG  92  10.015   5.161  -7.862
  994   2HB   ARG  92          2HB       ARG  92   8.658   6.090  -8.482
  995   1HG   ARG  92          1HG       ARG  92   8.151   6.541  -5.981
  996   2HG   ARG  92          2HG       ARG  92   9.830   6.055  -5.737
  997   1HD   ARG  92          1HD       ARG  92   8.829   8.283  -7.505
  998   2HD   ARG  92          2HD       ARG  92   9.694   8.458  -5.981
  999    HE   ARG  92           HE       ARG  92  11.461   7.070  -7.417
 1000   1HH1  ARG  92          1HH1      ARG  92   9.548   9.877  -8.261
 1001   2HH1  ARG  92          2HH1      ARG  92  10.736  10.529  -9.351
 1002   1HH2  ARG  92          1HH2      ARG  92  13.035   7.912  -8.869
 1003   2HH2  ARG  92          2HH2      ARG  92  12.704   9.404  -9.710
 1004    H    ASN  93           H        ASN  93   5.905   3.968  -8.553
 1005    HA   ASN  93           HA       ASN  93   6.826   2.239 -10.660
 1006   1HB   ASN  93          1HB       ASN  93   4.191   3.379  -9.810
 1007   2HB   ASN  93          2HB       ASN  93   4.348   2.731 -11.437
 1008   1HD2  ASN  93          1HD2      ASN  93   2.912   1.857  -8.925
 1009   2HD2  ASN  93          2HD2      ASN  93   3.354   0.199  -8.744
 1010    H    LYS  94           H        LYS  94   5.202   3.336 -12.810
 1011    HA   LYS  94           HA       LYS  94   7.282   4.911 -13.929
 1012   1HB   LYS  94          1HB       LYS  94   4.509   4.413 -15.016
 1013   2HB   LYS  94          2HB       LYS  94   5.886   5.012 -15.928
 1014   1HG   LYS  94          1HG       LYS  94   5.614   2.281 -14.681
 1015   2HG   LYS  94          2HG       LYS  94   5.510   2.669 -16.396
 1016   1HD   LYS  94          1HD       LYS  94   7.681   1.952 -16.284
 1017   2HD   LYS  94          2HD       LYS  94   7.917   3.670 -15.963
 1018   1HE   LYS  94          1HE       LYS  94   7.872   3.176 -13.536
 1019   2HE   LYS  94          2HE       LYS  94   7.750   1.461 -13.915
 1020   1HZ   LYS  94          1HZ       LYS  94   9.892   1.554 -14.989
 1021   2HZ   LYS  94          2HZ       LYS  94  10.025   2.152 -13.404
 1022   3HZ   LYS  94          3HZ       LYS  94  10.000   3.226 -14.716
 1023    H    PHE  95           H        PHE  95   4.331   5.698 -12.304
 1024    HA   PHE  95           HA       PHE  95   4.430   8.478 -13.148
 1025   1HB   PHE  95          1HB       PHE  95   2.405   8.763 -11.800
 1026   2HB   PHE  95          2HB       PHE  95   2.236   7.393 -12.890
 1027    HD1  PHE  95           HD1      PHE  95   2.434   5.077 -11.979
 1028    HD2  PHE  95           HD2      PHE  95   2.240   8.504  -9.466
 1029    HE1  PHE  95           HE1      PHE  95   1.816   3.645 -10.078
 1030    HE2  PHE  95           HE2      PHE  95   1.626   7.078  -7.560
 1031    HZ   PHE  95           HZ       PHE  95   1.413   4.645  -7.865
 1032    H    GLY  96           H        GLY  96   6.463   6.993 -11.414
 1033   1HA   GLY  96          1HA       GLY  96   6.504   7.866  -8.795
 1034   2HA   GLY  96          2HA       GLY  96   7.937   7.558  -9.759
 1035    HA   PRO  97           HA       PRO  97   9.029  11.872 -10.252
 1036   1HB   PRO  97          1HB       PRO  97   7.589  12.165 -12.851
 1037   2HB   PRO  97          2HB       PRO  97   9.240  12.628 -12.420
 1038   1HG   PRO  97          1HG       PRO  97   8.797  10.449 -13.868
 1039   2HG   PRO  97          2HG       PRO  97  10.034  10.451 -12.598
 1040   1HD   PRO  97          1HD       PRO  97   7.311   9.230 -12.592
 1041   2HD   PRO  97          2HD       PRO  97   8.815   8.642 -11.853
 1042    H    MET  98           H        MET  98   5.760  11.684 -11.758
 1043    HA   MET  98           HA       MET  98   5.000  14.246 -10.820
 1044   1HB   MET  98          1HB       MET  98   2.731  13.675 -11.488
 1045   2HB   MET  98          2HB       MET  98   3.872  13.173 -12.725
 1046   1HG   MET  98          1HG       MET  98   3.610  10.913 -12.206
 1047   2HG   MET  98          2HG       MET  98   2.882  11.272 -10.642
 1048   1HE   MET  98          1HE       MET  98   0.744  13.410 -11.144
 1049   2HE   MET  98          2HE       MET  98   0.398  11.924 -10.257
 1050   3HE   MET  98          3HE       MET  98  -0.682  12.454 -11.546
 1051    H    TYR  99           H        TYR  99   4.730  11.043  -9.467
 1052    HA   TYR  99           HA       TYR  99   2.863  11.531  -7.442
 1053   1HB   TYR  99          1HB       TYR  99   3.730   9.294  -8.167
 1054   2HB   TYR  99          2HB       TYR  99   5.234   9.655  -7.330
 1055    HD1  TYR  99           HD1      TYR  99   5.428   9.355  -4.985
 1056    HD2  TYR  99           HD2      TYR  99   1.623   9.061  -6.862
 1057    HE1  TYR  99           HE1      TYR  99   4.484   8.425  -2.915
 1058    HE2  TYR  99           HE2      TYR  99   0.670   8.132  -4.799
 1059    HH   TYR  99           HH       TYR  99   2.348   8.160  -1.819
 1060    H    LYS 100           H        LYS 100   6.401  11.763  -7.435
 1061    HA   LYS 100           HA       LYS 100   6.610  12.637  -4.751
 1062   1HB   LYS 100          1HB       LYS 100   8.480  12.798  -7.100
 1063   2HB   LYS 100          2HB       LYS 100   8.893  13.492  -5.538
 1064   1HG   LYS 100          1HG       LYS 100   8.567  11.257  -4.519
 1065   2HG   LYS 100          2HG       LYS 100   8.314  10.603  -6.137
 1066   1HD   LYS 100          1HD       LYS 100  10.618  10.257  -5.355
 1067   2HD   LYS 100          2HD       LYS 100  10.557  11.281  -6.789
 1068   1HE   LYS 100          1HE       LYS 100  10.533  12.596  -4.120
 1069   2HE   LYS 100          2HE       LYS 100  12.047  11.894  -4.684
 1070   1HZ   LYS 100          1HZ       LYS 100  10.496  13.727  -6.407
 1071   2HZ   LYS 100          2HZ       LYS 100  12.145  13.346  -6.477
 1072   3HZ   LYS 100          3HZ       LYS 100  11.552  14.329  -5.229
 1073    H    ARG 101           H        ARG 101   6.293  14.342  -7.824
 1074    HA   ARG 101           HA       ARG 101   6.814  16.930  -6.866
 1075   1HB   ARG 101          1HB       ARG 101   4.998  16.082  -9.124
 1076   2HB   ARG 101          2HB       ARG 101   5.527  17.729  -8.826
 1077   1HG   ARG 101          1HG       ARG 101   7.889  16.883  -9.078
 1078   2HG   ARG 101          2HG       ARG 101   7.184  15.377  -9.674
 1079   1HD   ARG 101          1HD       ARG 101   6.839  18.130 -10.848
 1080   2HD   ARG 101          2HD       ARG 101   7.762  16.797 -11.538
 1081    HE   ARG 101           HE       ARG 101   4.830  16.675 -11.171
 1082   1HH1  ARG 101          1HH1      ARG 101   7.718  16.169 -13.088
 1083   2HH1  ARG 101          2HH1      ARG 101   6.852  15.567 -14.476
 1084   1HH2  ARG 101          1HH2      ARG 101   3.683  15.883 -12.979
 1085   2HH2  ARG 101          2HH2      ARG 101   4.547  15.399 -14.408
 1086    H    ASP 102           H        ASP 102   3.710  15.233  -7.293
 1087    HA   ASP 102           HA       ASP 102   2.097  17.316  -6.322
 1088   1HB   ASP 102          1HB       ASP 102   1.217  15.371  -7.580
 1089   2HB   ASP 102          2HB       ASP 102   1.536  14.345  -6.183
 1090    H    ARG 103           H        ARG 103   3.589  14.562  -4.665
 1091    HA   ARG 103           HA       ARG 103   2.476  15.071  -2.126
 1092   1HB   ARG 103          1HB       ARG 103   3.566  12.937  -2.753
 1093   2HB   ARG 103          2HB       ARG 103   5.122  13.755  -2.773
 1094   1HG   ARG 103          1HG       ARG 103   4.813  12.511  -0.708
 1095   2HG   ARG 103          2HG       ARG 103   4.902  14.246  -0.389
 1096   1HD   ARG 103          1HD       ARG 103   2.409  14.292  -0.372
 1097   2HD   ARG 103          2HD       ARG 103   2.424  12.536  -0.498
 1098    HE   ARG 103           HE       ARG 103   3.919  12.904   1.677
 1099   1HH1  ARG 103          1HH1      ARG 103   0.868  14.329   0.734
 1100   2HH1  ARG 103          2HH1      ARG 103   0.306  14.553   2.363
 1101   1HH2  ARG 103          1HH2      ARG 103   3.194  13.171   3.834
 1102   2HH2  ARG 103          2HH2      ARG 103   1.636  13.892   4.124
 1103    H    ALA 104           H        ALA 104   5.512  16.128  -3.620
 1104    HA   ALA 104           HA       ALA 104   6.545  17.436  -1.342
 1105   1HB   ALA 104          1HB       ALA 104   8.107  18.502  -2.875
 1106   2HB   ALA 104          2HB       ALA 104   7.127  17.990  -4.249
 1107   3HB   ALA 104          3HB       ALA 104   7.939  16.786  -3.248
 1108    H    LEU 105           H        LEU 105   4.799  18.687  -4.173
 1109    HA   LEU 105           HA       LEU 105   4.833  21.383  -3.287
 1110   1HB   LEU 105          1HB       LEU 105   3.028  20.037  -5.294
 1111   2HB   LEU 105          2HB       LEU 105   3.211  21.770  -5.091
 1112    HG   LEU 105           HG       LEU 105   5.382  19.868  -5.973
 1113   1HD1  LEU 105          1HD1      LEU 105   3.656  20.203  -7.665
 1114   2HD1  LEU 105          2HD1      LEU 105   5.177  20.965  -8.133
 1115   3HD1  LEU 105          3HD1      LEU 105   3.848  21.949  -7.519
 1116   1HD2  LEU 105          1HD2      LEU 105   6.240  21.749  -4.671
 1117   2HD2  LEU 105          2HD2      LEU 105   5.393  22.873  -5.734
 1118   3HD2  LEU 105          3HD2      LEU 105   6.701  21.874  -6.369
 1119    H    LYS 106           H        LYS 106   2.803  18.697  -2.606
 1120    HA   LYS 106           HA       LYS 106   0.509  20.079  -1.696
 1121   1HB   LYS 106          1HB       LYS 106   0.775  17.581  -2.175
 1122   2HB   LYS 106          2HB       LYS 106   1.501  17.467  -0.578
 1123   1HG   LYS 106          1HG       LYS 106  -0.555  18.349   0.413
 1124   2HG   LYS 106          2HG       LYS 106  -1.283  18.436  -1.194
 1125   1HD   LYS 106          1HD       LYS 106  -0.863  15.981  -1.416
 1126   2HD   LYS 106          2HD       LYS 106  -0.378  15.971   0.279
 1127   1HE   LYS 106          1HE       LYS 106  -2.653  15.299   0.208
 1128   2HE   LYS 106          2HE       LYS 106  -2.623  16.950   0.824
 1129   1HZ   LYS 106          1HZ       LYS 106  -3.217  16.175  -1.984
 1130   2HZ   LYS 106          2HZ       LYS 106  -3.236  17.754  -1.367
 1131   3HZ   LYS 106          3HZ       LYS 106  -4.371  16.617  -0.820
 1132    H    GLN 107           H        GLN 107   3.520  19.112  -0.146
 1133    HA   GLN 107           HA       GLN 107   2.636  20.208   2.409
 1134   1HB   GLN 107          1HB       GLN 107   5.250  18.875   1.675
 1135   2HB   GLN 107          2HB       GLN 107   4.735  19.308   3.299
 1136   1HG   GLN 107          1HG       GLN 107   3.396  17.296   1.504
 1137   2HG   GLN 107          2HG       GLN 107   4.455  16.929   2.862
 1138   1HE2  GLN 107          1HE2      GLN 107   3.366  19.075   4.521
 1139   2HE2  GLN 107          2HE2      GLN 107   1.807  18.532   5.035
 1140    H    GLN 108           H        GLN 108   4.914  20.835  -0.174
 1141    HA   GLN 108           HA       GLN 108   5.786  23.296   1.144
 1142   1HB   GLN 108          1HB       GLN 108   6.829  22.058  -1.401
 1143   2HB   GLN 108          2HB       GLN 108   7.552  23.387  -0.511
 1144   1HG   GLN 108          1HG       GLN 108   8.036  21.902   1.351
 1145   2HG   GLN 108          2HG       GLN 108   7.269  20.564   0.498
 1146   1HE2  GLN 108          1HE2      GLN 108   9.124  19.324   0.482
 1147   2HE2  GLN 108          2HE2      GLN 108  10.485  19.702  -0.522
 1148    H    LYS 109           H        LYS 109   4.091  24.653   0.833
 1149    HA   LYS 109           HA       LYS 109   3.044  24.960  -1.886
 1150   1HB   LYS 109          1HB       LYS 109   1.130  26.086  -0.841
 1151   2HB   LYS 109          2HB       LYS 109   1.367  24.474  -0.182
 1152   1HG   LYS 109          1HG       LYS 109   2.461  25.448   1.784
 1153   2HG   LYS 109          2HG       LYS 109   2.187  27.061   1.124
 1154   1HD   LYS 109          1HD       LYS 109   0.013  25.071   1.765
 1155   2HD   LYS 109          2HD       LYS 109   0.508  26.392   2.822
 1156   1HE   LYS 109          1HE       LYS 109  -0.529  26.739   0.012
 1157   2HE   LYS 109          2HE       LYS 109  -1.513  26.892   1.466
 1158   1HZ   LYS 109          1HZ       LYS 109   0.042  28.673   2.190
 1159   2HZ   LYS 109          2HZ       LYS 109  -0.853  29.055   0.807
 1160   3HZ   LYS 109          3HZ       LYS 109   0.773  28.609   0.658
 1161    H    LYS 110           H        LYS 110   2.333  27.242  -2.402
 1162    HA   LYS 110           HA       LYS 110   4.614  28.981  -2.136
 1163   1HB   LYS 110          1HB       LYS 110   2.948  28.622  -4.158
 1164   2HB   LYS 110          2HB       LYS 110   2.005  29.850  -3.331
 1165   1HG   LYS 110          1HG       LYS 110   4.888  30.276  -4.049
 1166   2HG   LYS 110          2HG       LYS 110   3.580  30.608  -5.180
 1167   1HD   LYS 110          1HD       LYS 110   3.826  31.835  -2.435
 1168   2HD   LYS 110          2HD       LYS 110   4.354  32.610  -3.930
 1169   1HE   LYS 110          1HE       LYS 110   2.040  32.461  -4.780
 1170   2HE   LYS 110          2HE       LYS 110   1.540  31.773  -3.235
 1171   1HZ   LYS 110          1HZ       LYS 110   1.070  34.113  -3.276
 1172   2HZ   LYS 110          2HZ       LYS 110   2.676  34.484  -3.676
 1173   3HZ   LYS 110          3HZ       LYS 110   2.310  33.822  -2.153
 1174    H    ALA 111           H        ALA 111   4.811  30.712  -0.824
 1175    HA   ALA 111           HA       ALA 111   2.556  31.285   0.982
 1176   1HB   ALA 111          1HB       ALA 111   5.500  31.815   1.390
 1177   2HB   ALA 111          2HB       ALA 111   4.583  30.488   2.102
 1178   3HB   ALA 111          3HB       ALA 111   4.215  32.154   2.550
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  29.728   3.988  -0.776
    2   2H5*    G   1          2H5*        G   1  28.900   2.422  -0.738
    3    H4*    G   1           H4*        G   1  28.895   4.078   1.311
    4    H3*    G   1           H3*        G   1  27.541   1.794   0.884
    5    H1*    G   1           H1*        G   1  25.626   5.065   1.655
    6    H8     G   1           H8         G   1  25.413   4.064  -2.086
    7    H1     G   1           H1         G   1  21.782   9.035  -0.268
    8   1H2     G   1          1H2         G   1  22.130   9.484   1.865
    9   2H2     G   1          2H2         G   1  23.270   8.578   2.833
   10    H5T    G   1           H5T        G   1  28.019   4.855  -1.905
   11   1H2*    G   1          1H2*        G   1  25.658   2.711  -0.290
   12   2H2*    G   1          2H2*        G   1  25.062   2.754   1.364
   13   1H5*    G   2          1H5*        G   2  26.063   4.548   4.190
   14   2H5*    G   2          2H5*        G   2  26.002   3.656   5.724
   15    H4*    G   2           H4*        G   2  24.361   5.273   5.935
   16    H3*    G   2           H3*        G   2  23.485   2.684   6.039
   17    H1*    G   2           H1*        G   2  21.622   5.496   4.254
   18    H8     G   2           H8         G   2  23.216   3.106   1.639
   19    H1     G   2           H1         G   2  18.918   7.312  -0.610
   20   1H2     G   2          1H2         G   2  18.194   8.603   1.024
   21   2H2     G   2          2H2         G   2  18.763   8.430   2.671
   22   1H2*    G   2          1H2*        G   2  22.521   2.594   3.847
   23   2H2*    G   2          2H2*        G   2  21.145   3.169   4.776
   24   1H5*    C   3          1H5*        C   3  20.920   6.165   7.958
   25   2H5*    C   3          2H5*        C   3  19.799   5.562   9.195
   26    H4*    C   3           H4*        C   3  18.988   7.549   7.964
   27    H3*    C   3           H3*        C   3  17.433   5.529   8.839
   28    H1*    C   3           H1*        C   3  17.120   6.819   5.218
   29   1H4     C   3          1H4         C   3  18.465   3.049   0.319
   30   2H4     C   3          2H4         C   3  19.598   2.112   1.266
   31    H5     C   3           H5         C   3  20.015   2.525   3.611
   32    H6     C   3           H6         C   3  19.451   3.938   5.518
   33   1H2*    C   3          1H2*        C   3  17.388   4.230   6.821
   34   2H2*    C   3          2H2*        C   3  15.958   5.229   6.599
   35   1H5*    T   4          1H5*        T   4  15.487   8.883   6.386
   36   2H5*    T   4          2H5*        T   4  14.688   9.743   7.719
   37    H4*    T   4           H4*        T   4  13.588  10.552   5.872
   38    H3*    T   4           H3*        T   4  11.984   9.225   7.543
   39   1H2*    T   4          1H2*        T   4  12.010   7.058   6.547
   40   2H2*    T   4          2H2*        T   4  10.656   7.758   5.669
   41    H1*    T   4           H1*        T   4  11.921   8.173   3.733
   42    H3     T   4           H3         T   4  13.682   4.596   1.726
   43   1H5M    T   4          1H5M        T   4  15.785   3.561   5.972
   44   2H5M    T   4          2H5M        T   4  14.455   4.065   7.043
   45   3H5M    T   4          3H5M        T   4  14.259   2.643   5.989
   46    H6     T   4           H6         T   4  13.587   6.072   6.260
   47   1H5*    C   5          1H5*        C   5  10.762   9.268   3.852
   48   2H5*    C   5          2H5*        C   5   9.470  10.320   3.240
   49    H4*    C   5           H4*        C   5   9.146   8.654   1.801
   50    H3*    C   5           H3*        C   5   7.341   8.280   3.939
   51    H1*    C   5           H1*        C   5   9.160   5.736   1.772
   52   1H4     C   5          1H4         C   5  12.545   0.971   4.181
   53   2H4     C   5          2H4         C   5  12.305   1.530   5.825
   54    H5     C   5           H5         C   5  11.089   3.569   6.353
   55    H6     C   5           H6         C   5   9.863   5.459   5.416
   56   1H2*    C   5          1H2*        C   5   8.150   6.172   4.632
   57   2H2*    C   5          2H2*        C   5   7.229   5.617   3.241
   58   1H5*    A   6          1H5*        A   6   6.767   7.279  -0.567
   59   2H5*    A   6          2H5*        A   6   5.105   7.873  -0.778
   60    H4*    A   6           H4*        A   6   5.509   6.559  -2.658
   61    H3*    A   6           H3*        A   6   3.411   5.839  -1.179
   62    H1*    A   6           H1*        A   6   6.065   3.035  -2.041
   63    H8     A   6           H8         A   6   6.729   4.909   1.297
   64   1H6     A   6          1H6         A   6   9.758  -0.222   2.967
   65   2H6     A   6          2H6         A   6   9.281   1.391   3.451
   66    H2     A   6           H2         A   6   8.093  -0.863  -1.158
   67   1H2*    A   6          1H2*        A   6   4.394   4.172   0.210
   68   2H2*    A   6          2H2*        A   6   3.904   3.158  -1.140
   69   1H5*    G   7          1H5*        G   7   4.361   3.304  -4.347
   70   2H5*    G   7          2H5*        G   7   3.389   2.800  -5.747
   71    H4*    G   7           H4*        G   7   4.582   0.902  -5.175
   72    H3*    G   7           H3*        G   7   1.794   0.771  -4.779
   73    H1*    G   7           H1*        G   7   4.627  -0.896  -2.826
   74    H8     G   7           H8         G   7   2.795   1.719  -0.608
   75    H1     G   7           H1         G   7   6.416  -2.599   2.479
   76   1H2     G   7          1H2         G   7   7.348  -3.971   1.024
   77   2H2     G   7          2H2         G   7   7.079  -3.824  -0.698
   78   1H2*    G   7          1H2*        G   7   1.838   0.318  -2.459
   79   2H2*    G   7          2H2*        G   7   2.250  -1.300  -3.009
   80   1H5*    G   8          1H5*        G   8   4.357  -3.115  -3.601
   81   2H5*    G   8          2H5*        G   8   4.300  -3.155  -5.374
   82    H4*    G   8           H4*        G   8   4.753  -5.319  -5.079
   83    H3*    G   8           H3*        G   8   2.197  -5.244  -5.732
   84    H1*    G   8           H1*        G   8   2.975  -6.897  -2.150
   85    H8     G   8           H8         G   8   1.048  -3.671  -2.289
   86    H1     G   8           H1         G   8   4.045  -4.692   3.297
   87   1H2     G   8          1H2         G   8   5.435  -6.396   3.102
   88   2H2     G   8          2H2         G   8   5.635  -7.267   1.597
   89   1H2*    G   8          1H2*        G   8   1.156  -5.012  -3.610
   90   2H2*    G   8          2H2*        G   8   1.225  -6.767  -3.669
   91   1H5*    G   9          1H5*        G   9   4.157  -7.682  -2.746
   92   2H5*    G   9          2H5*        G   9   4.532  -9.043  -3.822
   93    H4*    G   9           H4*        G   9   5.007 -10.012  -1.844
   94    H3*    G   9           H3*        G   9   2.770 -11.094  -2.843
   95    H1*    G   9           H1*        G   9   2.776  -9.878   0.883
   96    H8     G   9           H8         G   9   0.860  -7.629  -1.605
   97    H1     G   9           H1         G   9   0.558  -5.852   4.557
   98   1H2     G   9          1H2         G   9   1.825  -7.165   5.790
   99   2H2     G   9          2H2         G   9   2.748  -8.483   5.105
  100   1H2*    G   9          1H2*        G   9   1.139  -9.790  -1.679
  101   2H2*    G   9          2H2*        G   9   1.336 -11.115  -0.539
  102   1H5*    C  10          1H5*        C  10   4.316 -13.137   1.145
  103   2H5*    C  10          2H5*        C  10   3.987 -14.882   1.121
  104    H4*    C  10           H4*        C  10   3.702 -14.016   3.341
  105    H3*    C  10           H3*        C  10   1.805 -15.601   2.140
  106    H1*    C  10           H1*        C  10   0.963 -12.475   4.282
  107   1H4     C  10          1H4         C  10  -2.268  -7.715   1.639
  108   2H4     C  10          2H4         C  10  -2.135  -8.421   0.044
  109    H5     C  10           H5         C  10  -0.947 -10.483  -0.386
  110    H6     C  10           H6         C  10   0.347 -12.285   0.623
  111   1H2*    C  10          1H2*        C  10   0.133 -13.966   1.753
  112   2H2*    C  10          2H2*        C  10  -0.254 -14.339   3.427
  113   1H5*    C  11          1H5*        C  11   1.378 -12.987   5.968
  114   2H5*    C  11          2H5*        C  11   2.100 -14.450   6.669
  115    H4*    C  11           H4*        C  11   1.532 -13.356   8.569
  116    H3*    C  11           H3*        C  11   0.014 -15.520   8.298
  117    H1*    C  11           H1*        C  11  -1.948 -12.048   8.691
  118   1H4     C  11          1H4         C  11  -4.544 -10.012   3.296
  119   2H4     C  11          2H4         C  11  -3.816 -11.309   2.377
  120    H5     C  11           H5         C  11  -2.367 -12.974   3.373
  121    H6     C  11           H6         C  11  -1.301 -13.707   5.437
  122   1H2*    C  11          1H2*        C  11  -1.894 -14.650   7.190
  123   2H2*    C  11          2H2*        C  11  -2.389 -14.323   8.845
  124   1H5*    A  12          1H5*        A  12  -1.339 -13.124  12.552
  125   2H5*    A  12          2H5*        A  12  -2.104 -14.428  13.482
  126    H4*    A  12           H4*        A  12  -3.284 -12.214  13.486
  127    H3*    A  12           H3*        A  12  -4.433 -14.683  13.641
  128    H1*    A  12           H1*        A  12  -5.745 -11.874  11.445
  129    H8     A  12           H8         A  12  -3.925 -14.443   9.148
  130   1H6     A  12          1H6         A  12  -6.910 -11.573   4.534
  131   2H6     A  12          2H6         A  12  -5.790 -12.856   4.940
  132    H2     A  12           H2         A  12  -8.054  -9.589   8.390
  133   1H2*    A  12          1H2*        A  12  -5.067 -14.864  11.331
  134   2H2*    A  12          2H2*        A  12  -6.508 -14.121  12.013
  135   1H5*    C  13          1H5*        C  13  -7.022 -10.813  14.126
  136   2H5*    C  13          2H5*        C  13  -7.696 -11.039  15.756
  137    H4*    C  13           H4*        C  13  -9.134  -9.536  14.717
  138    H3*    C  13           H3*        C  13 -10.251 -11.824  15.596
  139    H1*    C  13           H1*        C  13 -11.008 -10.606  11.924
  140   1H4     C  13          1H4         C  13  -8.756 -14.200   7.228
  141   2H4     C  13          2H4         C  13  -7.764 -15.132   8.327
  142    H5     C  13           H5         C  13  -7.673 -14.704  10.703
  143    H6     C  13           H6         C  13  -8.505 -13.293  12.509
  144   1H2*    C  13          1H2*        C  13 -10.361 -13.065  13.574
  145   2H2*    C  13          2H2*        C  13 -11.877 -12.186  13.429
  146   1H5*    A  14          1H5*        A  14 -12.903  -8.366  14.439
  147   2H5*    A  14          2H5*        A  14 -14.319  -8.043  15.463
  148    H4*    A  14           H4*        A  14 -14.861  -7.392  13.256
  149    H3*    A  14           H3*        A  14 -16.546  -9.033  14.554
  150    H1*    A  14           H1*        A  14 -15.524  -9.806  10.916
  151    H8     A  14           H8         A  14 -13.611 -12.053  13.441
  152   1H6     A  14          1H6         A  14 -11.898 -15.307   8.462
  153   2H6     A  14          2H6         A  14 -11.807 -15.190  10.204
  154    H2     A  14           H2         A  14 -14.365 -11.820   7.071
  155   1H2*    A  14          1H2*        A  14 -15.725 -11.114  13.671
  156   2H2*    A  14          2H2*        A  14 -17.025 -10.757  12.542
  157   1H5*    G  15          1H5*        G  15 -16.953  -8.019  10.142
  158   2H5*    G  15          2H5*        G  15 -17.877  -6.604  10.683
  159    H4*    G  15           H4*        G  15 -18.241  -6.344   8.493
  160    H3*    G  15           H3*        G  15 -20.510  -7.245   9.488
  161    H1*    G  15           H1*        G  15 -18.857  -9.644   6.679
  162    H8     G  15           H8         G  15 -18.000 -10.023  10.441
  163    H1     G  15           H1         G  15 -16.526 -15.024   6.700
  164   1H2     G  15          1H2         G  15 -17.093 -14.610   4.619
  165   2H2     G  15          2H2         G  15 -17.839 -13.104   4.132
  166    H3T    G  15           H3T        G  15 -21.261  -7.227   7.190
  167   1H2*    G  15          1H2*        G  15 -20.265  -9.590   9.310
  168   2H2*    G  15          2H2*        G  15 -20.904  -9.299   7.697
  169   1H5*    C  16          1H5*        C  16 -16.579 -22.825   4.891
  170   2H5*    C  16          2H5*        C  16 -15.036 -23.079   4.057
  171    H4*    C  16           H4*        C  16 -16.765 -21.553   2.975
  172    H3*    C  16           H3*        C  16 -14.090 -21.583   2.622
  173    H1*    C  16           H1*        C  16 -15.897 -18.242   3.566
  174   1H4     C  16          1H4         C  16 -14.708 -15.699   9.243
  175   2H4     C  16          2H4         C  16 -13.902 -17.149   9.799
  176    H5     C  16           H5         C  16 -13.642 -19.120   8.423
  177    H6     C  16           H6         C  16 -14.117 -20.108   6.246
  178    H5T    C  16           H5T        C  16 -15.561 -21.347   6.247
  179   1H2*    C  16          1H2*        C  16 -13.449 -19.930   4.210
  180   2H2*    C  16          2H2*        C  16 -13.741 -18.890   2.823
  181   1H5*    T  17          1H5*        T  17 -16.411 -17.960   1.066
  182   2H5*    T  17          2H5*        T  17 -15.984 -17.658  -0.630
  183    H4*    T  17           H4*        T  17 -16.464 -15.575   0.345
  184    H3*    T  17           H3*        T  17 -13.974 -15.971  -0.806
  185   1H2*    T  17          1H2*        T  17 -12.650 -15.850   1.157
  186   2H2*    T  17          2H2*        T  17 -12.845 -14.124   0.882
  187    H1*    T  17           H1*        T  17 -14.689 -13.945   2.409
  188    H3     T  17           H3         T  17 -13.096 -14.226   6.569
  189   1H5M    T  17          1H5M        T  17 -10.732 -18.060   5.707
  190   2H5M    T  17          2H5M        T  17 -10.804 -18.219   3.936
  191   3H5M    T  17          3H5M        T  17 -12.076 -18.945   4.948
  192    H6     T  17           H6         T  17 -12.778 -17.098   2.775
  193   1H5*    G  18          1H5*        G  18 -15.780 -12.032  -0.198
  194   2H5*    G  18          2H5*        G  18 -15.668 -10.733  -1.405
  195    H4*    G  18           H4*        G  18 -15.710  -9.697   0.707
  196    H3*    G  18           H3*        G  18 -13.550  -9.240  -0.960
  197    H1*    G  18           H1*        G  18 -13.423  -9.603   2.845
  198    H8     G  18           H8         G  18 -11.773 -12.684   1.139
  199    H1     G  18           H1         G  18 -10.639 -11.956   7.420
  200   1H2     G  18          1H2         G  18 -11.696 -10.170   8.173
  201   2H2     G  18          2H2         G  18 -12.675  -9.161   7.130
  202   1H2*    G  18          1H2*        G  18 -11.908 -10.405   0.307
  203   2H2*    G  18          2H2*        G  18 -11.862  -8.863   1.154
  204   1H5*    T  19          1H5*        T  19 -13.591  -8.518   3.627
  205   2H5*    T  19          2H5*        T  19 -14.620  -7.227   2.971
  206    H4*    T  19           H4*        T  19 -14.355  -6.485   5.103
  207    H3*    T  19           H3*        T  19 -13.157  -4.836   3.424
  208   1H2*    T  19          1H2*        T  19 -10.955  -5.709   3.315
  209   2H2*    T  19          2H2*        T  19 -10.738  -4.685   4.728
  210    H1*    T  19           H1*        T  19 -10.712  -6.466   6.194
  211    H3     T  19           H3         T  19  -8.248 -10.145   5.523
  212   1H5M    T  19          1H5M        T  19  -9.596  -8.250   0.723
  213   2H5M    T  19          2H5M        T  19  -8.536  -9.661   0.951
  214   3H5M    T  19          3H5M        T  19 -10.303  -9.867   0.949
  215    H6     T  19           H6         T  19 -10.853  -7.382   2.650
  216   1H5*    G  20          1H5*        G  20 -12.067  -4.182   7.518
  217   2H5*    G  20          2H5*        G  20 -12.083  -2.594   8.313
  218    H4*    G  20           H4*        G  20 -10.147  -3.470   9.126
  219    H3*    G  20           H3*        G  20  -9.695  -1.480   7.178
  220    H1*    G  20           H1*        G  20  -7.684  -4.589   8.034
  221    H8     G  20           H8         G  20  -8.976  -4.789   4.371
  222    H1     G  20           H1         G  20  -4.624  -9.177   6.119
  223   1H2     G  20          1H2         G  20  -4.083  -8.892   8.244
  224   2H2     G  20          2H2         G  20  -4.794  -7.627   9.222
  225   1H2*    G  20          1H2*        G  20  -8.497  -2.837   5.655
  226   2H2*    G  20          2H2*        G  20  -7.187  -2.566   6.797
  227   1H5*    G  21          1H5*        G  21  -6.750  -4.504   8.877
  228   2H5*    G  21          2H5*        G  21  -7.081  -3.410  10.235
  229    H4*    G  21           H4*        G  21  -5.342  -4.472  11.157
  230    H3*    G  21           H3*        G  21  -4.459  -2.074  10.418
  231    H1*    G  21           H1*        G  21  -2.422  -5.197   9.201
  232    H8     G  21           H8         G  21  -4.654  -3.539   6.519
  233    H1     G  21           H1         G  21  -1.234  -8.610   4.573
  234   1H2     G  21          1H2         G  21  -0.161  -9.500   6.281
  235   2H2     G  21          2H2         G  21  -0.278  -8.845   7.899
  236   1H2*    G  21          1H2*        G  21  -3.668  -2.608   8.218
  237   2H2*    G  21          2H2*        G  21  -2.195  -2.838   9.149
  238   1H5*    C  22          1H5*        C  22  -1.798  -4.905  12.257
  239   2H5*    C  22          2H5*        C  22  -0.885  -4.510  13.727
  240    H4*    C  22           H4*        C  22   0.430  -6.109  12.752
  241    H3*    C  22           H3*        C  22   1.574  -3.622  12.817
  242    H1*    C  22           H1*        C  22   1.823  -6.001   9.775
  243   1H4     C  22          1H4         C  22  -0.404  -4.138   4.154
  244   2H4     C  22          2H4         C  22  -1.199  -2.750   4.856
  245    H5     C  22           H5         C  22  -1.214  -2.299   7.228
  246    H6     C  22           H6         C  22  -0.405  -3.049   9.401
  247   1H2*    C  22          1H2*        C  22   1.384  -3.070  10.513
  248   2H2*    C  22          2H2*        C  22   2.893  -3.971  10.455
  249   1H5*    C  23          1H5*        C  23   3.003  -7.500  10.143
  250   2H5*    C  23          2H5*        C  23   4.225  -7.736  11.410
  251    H4*    C  23           H4*        C  23   5.079  -8.834   9.544
  252    H3*    C  23           H3*        C  23   6.637  -6.926  10.578
  253    H1*    C  23           H1*        C  23   5.938  -6.840   6.723
  254   1H4     C  23          1H4         C  23   2.244  -2.284   4.389
  255   2H4     C  23          2H4         C  23   1.824  -1.700   5.984
  256    H5     C  23           H5         C  23   2.632  -2.744   8.021
  257    H6     C  23           H6         C  23   3.992  -4.555   8.928
  258   1H2*    C  23          1H2*        C  23   5.980  -5.084   9.202
  259   2H2*    C  23          2H2*        C  23   7.332  -5.701   8.261
  260   1H5*    C  24          1H5*        C  24   7.830  -9.107   6.285
  261   2H5*    C  24          2H5*        C  24   9.355  -9.683   6.989
  262    H4*    C  24           H4*        C  24   9.627  -9.704   4.655
  263    H3*    C  24           H3*        C  24  11.451  -8.385   6.116
  264    H1*    C  24           H1*        C  24   9.778  -6.481   3.057
  265   1H4     C  24          1H4         C  24   5.796  -1.808   4.614
  266   2H4     C  24          2H4         C  24   5.990  -2.124   6.322
  267    H5     C  24           H5         C  24   7.381  -3.912   7.179
  268    H6     C  24           H6         C  24   8.839  -5.771   6.572
  269   1H2*    C  24          1H2*        C  24  10.682  -6.155   5.919
  270   2H2*    C  24          2H2*        C  24  11.638  -6.220   4.446
  271   1H5*    T  25          1H5*        T  25  10.322  -7.388   1.865
  272   2H5*    T  25          2H5*        T  25  11.238  -8.900   1.720
  273    H4*    T  25           H4*        T  25  10.992  -8.520  -0.467
  274    H3*    T  25           H3*        T  25  13.515  -7.917   0.104
  275   1H2*    T  25          1H2*        T  25  13.475  -5.594   0.490
  276   2H2*    T  25          2H2*        T  25  13.522  -5.500  -1.266
  277    H1*    T  25           H1*        T  25  11.330  -4.842  -1.423
  278    H3     T  25           H3         T  25   9.425  -1.765   1.213
  279   1H5M    T  25          1H5M        T  25  13.121  -4.401   4.102
  280   2H5M    T  25          2H5M        T  25  12.488  -2.808   4.577
  281   3H5M    T  25          3H5M        T  25  11.533  -4.275   4.894
  282    H6     T  25           H6         T  25  12.505  -5.317   2.009
  283   1H5*    G  26          1H5*        G  26  11.495  -6.104  -2.934
  284   2H5*    G  26          2H5*        G  26  11.952  -6.382  -4.628
  285    H4*    G  26           H4*        G  26  10.992  -4.310  -4.726
  286    H3*    G  26           H3*        G  26  13.746  -4.291  -5.129
  287    H1*    G  26           H1*        G  26  11.662  -1.631  -3.288
  288    H8     G  26           H8         G  26  13.871  -3.654  -0.813
  289    H1     G  26           H1         G  26  11.422   1.851   1.404
  290   1H2     G  26          1H2         G  26  10.263   2.853  -0.187
  291   2H2     G  26          2H2         G  26  10.092   2.166  -1.788
  292   1H2*    G  26          1H2*        G  26  14.365  -3.062  -3.204
  293   2H2*    G  26          2H2*        G  26  13.882  -1.704  -4.213
  294   1H5*    A  27          1H5*        A  27  11.159  -0.097  -4.873
  295   2H5*    A  27          2H5*        A  27  10.982  -0.585  -6.571
  296    H4*    A  27           H4*        A  27  10.571   1.586  -6.879
  297    H3*    A  27           H3*        A  27  13.062   1.169  -7.734
  298    H1*    A  27           H1*        A  27  12.632   3.964  -4.841
  299    H8     A  27           H8         A  27  14.228   0.522  -4.201
  300   1H6     A  27          1H6         A  27  14.686   2.358   1.690
  301   2H6     A  27          2H6         A  27  15.109   1.115   0.531
  302    H2     A  27           H2         A  27  12.349   5.462  -0.558
  303   1H2*    A  27          1H2*        A  27  14.384   1.784  -5.885
  304   2H2*    A  27          2H2*        A  27  14.126   3.410  -6.502
  305   1H5*    G  28          1H5*        G  28  11.657   4.369  -6.051
  306   2H5*    G  28          2H5*        G  28  10.842   5.403  -7.241
  307    H4*    G  28           H4*        G  28  10.681   6.741  -5.441
  308    H3*    G  28           H3*        G  28  12.486   7.766  -7.166
  309    H1*    G  28           H1*        G  28  13.268   7.560  -3.373
  310    H8     G  28           H8         G  28  15.078   4.799  -5.418
  311    H1     G  28           H1         G  28  16.916   5.479   0.697
  312   1H2     G  28          1H2         G  28  15.732   7.067   1.666
  313   2H2     G  28          2H2         G  28  14.488   7.957   0.816
  314   1H2*    G  28          1H2*        G  28  14.489   6.989  -6.110
  315   2H2*    G  28          2H2*        G  28  14.294   8.536  -5.295
  316   1H5*    C  29          1H5*        C  29  11.711  10.610  -3.345
  317   2H5*    C  29          2H5*        C  29  12.053  12.298  -3.774
  318    H4*    C  29           H4*        C  29  12.945  11.622  -1.581
  319    H3*    C  29           H3*        C  29  14.296  13.172  -3.467
  320    H1*    C  29           H1*        C  29  15.771  10.523  -1.126
  321   1H4     C  29          1H4         C  29  19.277   5.749  -3.355
  322   2H4     C  29          2H4         C  29  18.630   5.928  -4.971
  323    H5     C  29           H5         C  29  16.999   7.627  -5.554
  324    H6     C  29           H6         C  29  15.656   9.476  -4.702
  325   1H2*    C  29          1H2*        C  29  16.029  11.633  -3.969
  326   2H2*    C  29          2H2*        C  29  16.701  12.289  -2.482
  327   1H5*    C  30          1H5*        C  30  15.750  13.163   1.292
  328   2H5*    C  30          2H5*        C  30  15.741  14.935   1.402
  329    H4*    C  30           H4*        C  30  17.274  14.116   3.010
  330    H3*    C  30           H3*        C  30  18.084  16.036   1.344
  331    H1*    C  30           H1*        C  30  20.335  12.840   1.694
  332   1H4     C  30          1H4         C  30  20.544   8.786  -3.160
  333   2H4     C  30          2H4         C  30  19.412   9.744  -4.089
  334    H5     C  30           H5         C  30  18.377  11.753  -3.232
  335    H6     C  30           H6         C  30  18.223  13.260  -1.322
  336    H3T    C  30           H3T        C  30  19.537  14.621   3.319
  337   1H2*    C  30          1H2*        C  30  19.099  14.706  -0.359
  338   2H2*    C  30          2H2*        C  30  20.493  14.970   0.684
  339   1H    ASP  10          1H        ASP  10  -7.383  15.488   9.920
  340    HA   ASP  10           HA       ASP  10  -5.237  17.094   8.870
  341   1HB   ASP  10          1HB       ASP  10  -3.968  15.441  10.119
  342   2HB   ASP  10          2HB       ASP  10  -4.845  14.137   9.329
  343    H    GLU  11           H        GLU  11  -6.285  13.845   8.054
  344    HA   GLU  11           HA       GLU  11  -7.654  14.863   5.681
  345   1HB   GLU  11          1HB       GLU  11  -5.345  12.941   5.701
  346   2HB   GLU  11          2HB       GLU  11  -6.525  12.917   4.407
  347   1HG   GLU  11          1HG       GLU  11  -4.829  15.267   5.182
  348   2HG   GLU  11          2HG       GLU  11  -4.559  14.189   3.813
  349    H    LEU  12           H        LEU  12  -8.991  13.276   4.628
  350    HA   LEU  12           HA       LEU  12  -9.570  10.855   6.189
  351   1HB   LEU  12          1HB       LEU  12 -11.585  12.752   4.972
  352   2HB   LEU  12          2HB       LEU  12 -11.980  11.143   5.540
  353    HG   LEU  12           HG       LEU  12 -10.940  13.395   7.265
  354   1HD1  LEU  12          1HD1      LEU  12 -13.195  13.420   8.203
  355   2HD1  LEU  12          2HD1      LEU  12 -13.697  12.193   7.038
  356   3HD1  LEU  12          3HD1      LEU  12 -13.212  13.795   6.479
  357   1HD2  LEU  12          1HD2      LEU  12 -10.253  11.199   8.082
  358   2HD2  LEU  12          2HD2      LEU  12 -11.922  10.636   7.998
  359   3HD2  LEU  12          3HD2      LEU  12 -11.477  11.910   9.134
  360    H    CYS  13           H        CYS  13 -10.210   9.071   4.934
  361    HA   CYS  13           HA       CYS  13  -9.132   8.988   2.308
  362   1HB   CYS  13          1HB       CYS  13  -9.175   6.996   3.726
  363   2HB   CYS  13          2HB       CYS  13 -10.935   7.025   3.743
  364    HG   CYS  13           HG       CYS  13 -10.676   5.052   2.017
  365    HA   PRO  14           HA       PRO  14 -12.689  10.874   0.401
  366   1HB   PRO  14          1HB       PRO  14 -11.791  10.706  -2.160
  367   2HB   PRO  14          2HB       PRO  14 -11.214  11.918  -1.012
  368   1HG   PRO  14          1HG       PRO  14  -9.955   9.325  -1.824
  369   2HG   PRO  14          2HG       PRO  14  -9.199  10.914  -1.596
  370   1HD   PRO  14          1HD       PRO  14  -9.063   8.971   0.274
  371   2HD   PRO  14          2HD       PRO  14  -9.132  10.692   0.701
  372    H    VAL  15           H        VAL  15 -11.653   7.676   0.110
  373    HA   VAL  15           HA       VAL  15 -13.657   6.893  -1.831
  374    HB   VAL  15           HB       VAL  15 -11.742   5.202  -0.214
  375   1HG1  VAL  15          1HG1      VAL  15 -12.308   3.408  -1.797
  376   2HG1  VAL  15          2HG1      VAL  15 -13.537   4.448  -2.517
  377   3HG1  VAL  15          3HG1      VAL  15 -13.702   3.916  -0.843
  378   1HG2  VAL  15          1HG2      VAL  15 -10.589   6.654  -1.781
  379   2HG2  VAL  15          2HG2      VAL  15 -11.642   6.109  -3.086
  380   3HG2  VAL  15          3HG2      VAL  15 -10.518   4.979  -2.330
  381    H    CYS  16           H        CYS  16 -12.985   6.206   1.618
  382    HA   CYS  16           HA       CYS  16 -15.711   5.104   1.794
  383   1HB   CYS  16          1HB       CYS  16 -14.834   3.678   3.619
  384   2HB   CYS  16          2HB       CYS  16 -14.036   3.391   2.075
  385    HG   CYS  16           HG       CYS  16 -12.695   4.033   4.944
  386    H    GLY  17           H        GLY  17 -13.658   7.561   3.001
  387   1HA   GLY  17          1HA       GLY  17 -14.265   9.289   4.442
  388   2HA   GLY  17          2HA       GLY  17 -15.713   8.392   4.870
  389    H    ASP  18           H        ASP  18 -12.683   6.757   5.026
  390    HA   ASP  18           HA       ASP  18 -12.789   6.850   7.959
  391   1HB   ASP  18          1HB       ASP  18 -11.460   4.898   6.073
  392   2HB   ASP  18          2HB       ASP  18 -11.205   4.883   7.814
  393    H    LYS  19           H        LYS  19 -10.274   6.272   8.696
  394    HA   LYS  19           HA       LYS  19  -8.856   8.703   8.217
  395   1HB   LYS  19          1HB       LYS  19  -7.926   6.170   9.589
  396   2HB   LYS  19          2HB       LYS  19  -7.128   7.737   9.669
  397   1HG   LYS  19          1HG       LYS  19  -9.843   7.035  10.758
  398   2HG   LYS  19          2HG       LYS  19  -8.380   7.383  11.682
  399   1HD   LYS  19          1HD       LYS  19  -8.373   9.663  10.907
  400   2HD   LYS  19          2HD       LYS  19  -9.730   9.338   9.824
  401   1HE   LYS  19          1HE       LYS  19 -11.122   8.805  11.790
  402   2HE   LYS  19          2HE       LYS  19  -9.769   9.239  12.835
  403   1HZ   LYS  19          1HZ       LYS  19 -11.323  11.061  12.620
  404   2HZ   LYS  19          2HZ       LYS  19 -11.145  11.059  10.935
  405   3HZ   LYS  19          3HZ       LYS  19  -9.837  11.480  11.923
  406    H    VAL  20           H        VAL  20  -6.401   8.502   7.675
  407    HA   VAL  20           HA       VAL  20  -6.230   6.846   5.245
  408    HB   VAL  20           HB       VAL  20  -4.764   8.481   4.263
  409   1HG1  VAL  20          1HG1      VAL  20  -7.196   9.788   5.470
  410   2HG1  VAL  20          2HG1      VAL  20  -7.146   8.841   3.984
  411   3HG1  VAL  20          3HG1      VAL  20  -6.297  10.384   4.073
  412   1HG2  VAL  20          1HG2      VAL  20  -3.568   9.234   6.239
  413   2HG2  VAL  20          2HG2      VAL  20  -5.024  10.027   6.840
  414   3HG2  VAL  20          3HG2      VAL  20  -4.246  10.611   5.368
  415    H    SER  21           H        SER  21  -4.082   6.123   4.626
  416    HA   SER  21           HA       SER  21  -2.441   5.472   6.983
  417   1HB   SER  21          1HB       SER  21  -3.493   3.544   5.817
  418   2HB   SER  21          2HB       SER  21  -2.674   4.014   4.331
  419    HG   SER  21           HG       SER  21  -1.102   3.631   6.605
  420    H    GLY  22           H        GLY  22  -2.517   7.740   4.818
  421   1HA   GLY  22          1HA       GLY  22  -0.492   9.121   4.621
  422   2HA   GLY  22          2HA       GLY  22   0.375   7.640   4.236
  423    H    TYR  23           H        TYR  23   0.967   9.157   2.388
  424    HA   TYR  23           HA       TYR  23  -1.050   9.550   0.367
  425   1HB   TYR  23          1HB       TYR  23   1.278  10.838   0.985
  426   2HB   TYR  23          2HB       TYR  23   1.789   9.854  -0.382
  427    HD1  TYR  23           HD1      TYR  23  -0.127  12.731   0.692
  428    HD2  TYR  23           HD2      TYR  23   0.691  10.166  -2.598
  429    HE1  TYR  23           HE1      TYR  23  -1.082  14.401  -0.838
  430    HE2  TYR  23           HE2      TYR  23  -0.261  11.828  -4.139
  431    HH   TYR  23           HH       TYR  23  -1.841  13.711  -4.073
  432    H    HIS  24           H        HIS  24  -1.755   7.781  -0.672
  433    HA   HIS  24           HA       HIS  24   0.254   5.968  -1.819
  434   1HB   HIS  24          1HB       HIS  24  -2.293   5.036  -0.473
  435   2HB   HIS  24          2HB       HIS  24  -1.117   4.011  -1.285
  436    HD1  HIS  24           HD1      HIS  24   1.353   4.027  -0.094
  437    HD2  HIS  24           HD2      HIS  24  -1.873   5.340   2.174
  438    HE1  HIS  24           HE1      HIS  24   2.119   3.905   2.302
  439    HE2  HIS  24           HE2      HIS  24   0.111   4.593   3.663
  440    H    TYR  25           H        TYR  25  -0.045   5.612  -3.901
  441    HA   TYR  25           HA       TYR  25  -0.972   5.312  -5.936
  442   1HB   TYR  25          1HB       TYR  25  -3.570   5.075  -4.406
  443   2HB   TYR  25          2HB       TYR  25  -3.357   4.669  -6.104
  444    HD1  TYR  25           HD1      TYR  25  -2.863   3.591  -2.675
  445    HD2  TYR  25           HD2      TYR  25  -1.969   2.702  -6.740
  446    HE1  TYR  25           HE1      TYR  25  -2.217   1.312  -2.028
  447    HE2  TYR  25           HE2      TYR  25  -1.319   0.415  -6.100
  448    HH   TYR  25           HH       TYR  25  -0.628  -0.858  -4.197
  449    H    GLY  26           H        GLY  26  -1.023   8.022  -4.420
  450   1HA   GLY  26          1HA       GLY  26  -1.065  10.005  -5.834
  451   2HA   GLY  26          2HA       GLY  26  -2.536   9.380  -6.557
  452    H    LEU  27           H        LEU  27  -3.116   8.657  -3.500
  453    HA   LEU  27           HA       LEU  27  -3.945  11.343  -2.669
  454   1HB   LEU  27          1HB       LEU  27  -5.813   8.989  -2.939
  455   2HB   LEU  27          2HB       LEU  27  -6.198  10.438  -2.036
  456    HG   LEU  27           HG       LEU  27  -5.627  11.561  -4.401
  457   1HD1  LEU  27          1HD1      LEU  27  -5.124   9.466  -5.518
  458   2HD1  LEU  27          2HD1      LEU  27  -6.588  10.188  -6.191
  459   3HD1  LEU  27          3HD1      LEU  27  -6.708   8.829  -5.073
  460   1HD2  LEU  27          1HD2      LEU  27  -8.050  11.567  -4.810
  461   2HD2  LEU  27          2HD2      LEU  27  -7.655  11.894  -3.122
  462   3HD2  LEU  27          3HD2      LEU  27  -8.242  10.299  -3.596
  463    H    LEU  28           H        LEU  28  -5.011  11.206  -0.423
  464    HA   LEU  28           HA       LEU  28  -3.378   9.559   1.307
  465   1HB   LEU  28          1HB       LEU  28  -5.623  11.496   1.913
  466   2HB   LEU  28          2HB       LEU  28  -4.755  10.603   3.139
  467    HG   LEU  28           HG       LEU  28  -3.874  12.805   3.104
  468   1HD1  LEU  28          1HD1      LEU  28  -1.979  10.967   1.658
  469   2HD1  LEU  28          2HD1      LEU  28  -2.223  11.063   3.402
  470   3HD1  LEU  28          3HD1      LEU  28  -1.529  12.432   2.533
  471   1HD2  LEU  28          1HD2      LEU  28  -2.924  13.848   1.111
  472   2HD2  LEU  28          2HD2      LEU  28  -4.643  13.510   0.911
  473   3HD2  LEU  28          3HD2      LEU  28  -3.445  12.471   0.141
  474    H    THR  29           H        THR  29  -3.892   7.456   1.308
  475    HA   THR  29           HA       THR  29  -6.738   6.744   1.515
  476    HB   THR  29           HB       THR  29  -6.102   4.669   0.164
  477    HG1  THR  29           HG1      THR  29  -4.102   6.093  -1.100
  478   1HG2  THR  29          1HG2      THR  29  -6.371   5.838  -1.981
  479   2HG2  THR  29          2HG2      THR  29  -6.008   7.372  -1.190
  480   3HG2  THR  29          3HG2      THR  29  -7.467   6.481  -0.758
  481    H    CYS  30           H        CYS  30  -7.211   4.786   2.609
  482    HA   CYS  30           HA       CYS  30  -5.235   4.144   4.661
  483   1HB   CYS  30          1HB       CYS  30  -7.317   2.914   5.629
  484   2HB   CYS  30          2HB       CYS  30  -7.242   4.671   5.699
  485    HG   CYS  30           HG       CYS  30  -9.614   4.870   4.761
  486    H    GLU  31           H        GLU  31  -5.002   1.887   5.355
  487    HA   GLU  31           HA       GLU  31  -4.424   0.235   3.107
  488   1HB   GLU  31          1HB       GLU  31  -3.071   0.370   5.231
  489   2HB   GLU  31          2HB       GLU  31  -4.341  -0.559   6.015
  490   1HG   GLU  31          1HG       GLU  31  -2.541  -2.020   5.396
  491   2HG   GLU  31          2HG       GLU  31  -3.958  -2.390   4.418
  492    H    SER  32           H        SER  32  -7.251   0.724   4.856
  493    HA   SER  32           HA       SER  32  -8.343  -1.901   4.582
  494   1HB   SER  32          1HB       SER  32 -10.536  -0.690   4.962
  495   2HB   SER  32          2HB       SER  32  -9.331  -0.470   6.230
  496    HG   SER  32           HG       SER  32 -10.199   1.524   5.709
  497    H    CYS  33           H        CYS  33  -8.582   1.125   2.752
  498    HA   CYS  33           HA       CYS  33 -10.057  -0.090   0.608
  499   1HB   CYS  33          1HB       CYS  33  -8.627   2.573   0.760
  500   2HB   CYS  33          2HB       CYS  33  -9.683   2.067  -0.558
  501    HG   CYS  33           HG       CYS  33 -10.498   2.983   2.605
  502    H    LYS  34           H        LYS  34  -6.711   0.890   1.186
  503    HA   LYS  34           HA       LYS  34  -5.663   0.050  -1.287
  504   1HB   LYS  34          1HB       LYS  34  -4.399   1.474   0.214
  505   2HB   LYS  34          2HB       LYS  34  -4.399   0.233   1.451
  506   1HG   LYS  34          1HG       LYS  34  -2.913  -1.138   0.181
  507   2HG   LYS  34          2HG       LYS  34  -3.050  -0.071  -1.219
  508   1HD   LYS  34          1HD       LYS  34  -1.897   1.684  -0.106
  509   2HD   LYS  34          2HD       LYS  34  -2.001   0.857   1.448
  510   1HE   LYS  34          1HE       LYS  34  -0.486  -0.234  -0.916
  511   2HE   LYS  34          2HE       LYS  34   0.249   0.785   0.322
  512   1HZ   LYS  34          1HZ       LYS  34  -0.429  -0.871   1.988
  513   2HZ   LYS  34          2HZ       LYS  34   0.632  -1.522   0.832
  514   3HZ   LYS  34          3HZ       LYS  34  -1.021  -1.860   0.752
  515    H    GLY  35           H        GLY  35  -6.413  -1.665   1.686
  516   1HA   GLY  35          1HA       GLY  35  -5.271  -4.154   1.042
  517   2HA   GLY  35          2HA       GLY  35  -6.637  -3.905   2.122
  518    H    PHE  36           H        PHE  36  -8.622  -3.039   0.652
  519    HA   PHE  36           HA       PHE  36  -9.556  -5.217  -0.829
  520   1HB   PHE  36          1HB       PHE  36 -11.109  -3.635   0.116
  521   2HB   PHE  36          2HB       PHE  36 -10.413  -2.316  -0.816
  522    HD1  PHE  36           HD1      PHE  36 -12.243  -5.528  -1.183
  523    HD2  PHE  36           HD2      PHE  36 -11.293  -1.747  -2.887
  524    HE1  PHE  36           HE1      PHE  36 -13.895  -5.919  -2.961
  525    HE2  PHE  36           HE2      PHE  36 -12.944  -2.133  -4.670
  526    HZ   PHE  36           HZ       PHE  36 -14.248  -4.221  -4.708
  527    H    PHE  37           H        PHE  37  -8.162  -2.148  -1.896
  528    HA   PHE  37           HA       PHE  37  -8.451  -2.400  -4.630
  529   1HB   PHE  37          1HB       PHE  37  -7.642  -0.394  -3.328
  530   2HB   PHE  37          2HB       PHE  37  -6.063  -1.166  -3.255
  531    HD1  PHE  37           HD1      PHE  37  -4.517  -0.721  -4.905
  532    HD2  PHE  37           HD2      PHE  37  -8.647  -0.086  -5.706
  533    HE1  PHE  37           HE1      PHE  37  -3.938   0.286  -7.073
  534    HE2  PHE  37           HE2      PHE  37  -8.076   0.919  -7.877
  535    HZ   PHE  37           HZ       PHE  37  -5.717   1.108  -8.562
  536    H    LYS  38           H        LYS  38  -5.647  -3.394  -2.662
  537    HA   LYS  38           HA       LYS  38  -4.175  -4.457  -4.811
  538   1HB   LYS  38          1HB       LYS  38  -4.047  -5.294  -1.909
  539   2HB   LYS  38          2HB       LYS  38  -2.821  -5.602  -3.131
  540   1HG   LYS  38          1HG       LYS  38  -2.558  -3.133  -3.375
  541   2HG   LYS  38          2HG       LYS  38  -3.641  -2.941  -1.998
  542   1HD   LYS  38          1HD       LYS  38  -0.947  -4.290  -2.032
  543   2HD   LYS  38          2HD       LYS  38  -1.394  -2.808  -1.188
  544   1HE   LYS  38          1HE       LYS  38  -2.485  -5.561  -0.609
  545   2HE   LYS  38          2HE       LYS  38  -1.249  -4.733   0.331
  546   1HZ   LYS  38          1HZ       LYS  38  -3.576  -4.625   1.224
  547   2HZ   LYS  38          2HZ       LYS  38  -3.961  -3.609  -0.074
  548   3HZ   LYS  38          3HZ       LYS  38  -2.800  -3.131   1.065
  549    H    ARG  39           H        ARG  39  -6.283  -6.089  -2.431
  550    HA   ARG  39           HA       ARG  39  -5.919  -8.676  -3.437
  551   1HB   ARG  39          1HB       ARG  39  -7.999  -7.368  -1.754
  552   2HB   ARG  39          2HB       ARG  39  -8.366  -8.945  -2.440
  553   1HG   ARG  39          1HG       ARG  39  -6.070  -8.250  -0.620
  554   2HG   ARG  39          2HG       ARG  39  -7.475  -9.251  -0.240
  555   1HD   ARG  39          1HD       ARG  39  -6.738 -10.767  -2.124
  556   2HD   ARG  39          2HD       ARG  39  -5.234  -9.852  -2.156
  557    HE   ARG  39           HE       ARG  39  -6.138 -11.270   0.267
  558   1HH1  ARG  39          1HH1      ARG  39  -3.671 -10.454  -2.071
  559   2HH1  ARG  39          2HH1      ARG  39  -2.472 -11.508  -1.380
  560   1HH2  ARG  39          1HH2      ARG  39  -4.576 -12.680   1.189
  561   2HH2  ARG  39          2HH2      ARG  39  -2.991 -12.788   0.464
  562    H    THR  40           H        THR  40  -7.986  -6.085  -4.522
  563    HA   THR  40           HA       THR  40  -9.599  -7.665  -6.249
  564    HB   THR  40           HB       THR  40  -8.999  -4.701  -6.379
  565    HG1  THR  40           HG1      THR  40 -10.010  -5.017  -4.471
  566   1HG2  THR  40          1HG2      THR  40  -9.936  -5.577  -8.476
  567   2HG2  THR  40          2HG2      THR  40 -11.090  -4.541  -7.636
  568   3HG2  THR  40          3HG2      THR  40 -11.272  -6.294  -7.575
  569    H    VAL  41           H        VAL  41  -6.829  -5.498  -6.892
  570    HA   VAL  41           HA       VAL  41  -6.710  -6.089  -9.644
  571    HB   VAL  41           HB       VAL  41  -4.379  -5.126  -9.519
  572   1HG1  VAL  41          1HG1      VAL  41  -5.195  -2.853  -9.071
  573   2HG1  VAL  41          2HG1      VAL  41  -6.654  -3.528  -8.346
  574   3HG1  VAL  41          3HG1      VAL  41  -6.330  -3.770 -10.062
  575   1HG2  VAL  41          1HG2      VAL  41  -5.151  -4.661  -6.651
  576   2HG2  VAL  41          2HG2      VAL  41  -3.730  -4.007  -7.465
  577   3HG2  VAL  41          3HG2      VAL  41  -3.884  -5.748  -7.217
  578    H    GLN  42           H        GLN  42  -5.014  -7.487  -6.876
  579    HA   GLN  42           HA       GLN  42  -3.147  -9.047  -8.210
  580   1HB   GLN  42          1HB       GLN  42  -4.636  -9.659  -5.655
  581   2HB   GLN  42          2HB       GLN  42  -3.257 -10.580  -6.233
  582   1HG   GLN  42          1HG       GLN  42  -1.859  -8.581  -6.078
  583   2HG   GLN  42          2HG       GLN  42  -3.247  -7.665  -5.488
  584   1HE2  GLN  42          1HE2      GLN  42  -0.855 -10.046  -4.733
  585   2HE2  GLN  42          2HE2      GLN  42  -1.167 -10.129  -3.035
  586    H    ASN  43           H        ASN  43  -6.553  -9.781  -7.515
  587    HA   ASN  43           HA       ASN  43  -6.224 -12.386  -8.817
  588   1HB   ASN  43          1HB       ASN  43  -8.526 -11.254  -7.218
  589   2HB   ASN  43          2HB       ASN  43  -8.531 -12.841  -7.975
  590   1HD2  ASN  43          1HD2      ASN  43  -7.339 -10.907  -5.370
  591   2HD2  ASN  43          2HD2      ASN  43  -6.649 -12.208  -4.457
  592    H    ASN  44           H        ASN  44  -6.879  -9.337  -9.733
  593    HA   ASN  44           HA       ASN  44  -7.829  -8.357 -11.554
  594   1HB   ASN  44          1HB       ASN  44  -7.859 -11.234 -12.463
  595   2HB   ASN  44          2HB       ASN  44  -8.540  -9.953 -13.451
  596   1HD2  ASN  44          1HD2      ASN  44  -5.741  -9.432 -11.453
  597   2HD2  ASN  44          2HD2      ASN  44  -4.605  -9.302 -12.746
  598    H    LYS  45           H        LYS  45  -9.374  -8.970  -9.270
  599    HA   LYS  45           HA       LYS  45 -11.840 -10.212  -9.888
  600   1HB   LYS  45          1HB       LYS  45 -11.249  -8.212  -7.704
  601   2HB   LYS  45          2HB       LYS  45 -12.613  -9.309  -7.765
  602   1HG   LYS  45          1HG       LYS  45 -10.952 -11.200  -7.729
  603   2HG   LYS  45          2HG       LYS  45  -9.725  -9.989  -7.356
  604   1HD   LYS  45          1HD       LYS  45 -12.171 -10.669  -5.725
  605   2HD   LYS  45          2HD       LYS  45 -10.489 -10.976  -5.299
  606   1HE   LYS  45          1HE       LYS  45 -10.093  -8.532  -5.286
  607   2HE   LYS  45          2HE       LYS  45 -11.810  -8.283  -5.597
  608   1HZ   LYS  45          1HZ       LYS  45 -11.211  -8.082  -3.238
  609   2HZ   LYS  45          2HZ       LYS  45 -10.717  -9.702  -3.227
  610   3HZ   LYS  45          3HZ       LYS  45 -12.345  -9.307  -3.510
  611    H    HIS  46           H        HIS  46 -13.535  -9.458 -10.957
  612    HA   HIS  46           HA       HIS  46 -14.015  -6.568 -10.999
  613   1HB   HIS  46          1HB       HIS  46 -14.097  -8.392 -13.415
  614   2HB   HIS  46          2HB       HIS  46 -14.723  -6.746 -13.392
  615    HD1  HIS  46           HD1      HIS  46 -11.977  -8.387 -14.678
  616    HD2  HIS  46           HD2      HIS  46 -12.334  -5.038 -12.231
  617    HE1  HIS  46           HE1      HIS  46  -9.820  -7.113 -14.944
  618    HE2  HIS  46           HE2      HIS  46 -10.080  -5.054 -13.506
  619    H    TYR  47           H        TYR  47 -15.963  -6.155 -10.253
  620    HA   TYR  47           HA       TYR  47 -17.999  -8.287 -10.398
  621   1HB   TYR  47          1HB       TYR  47 -17.786  -6.065  -8.353
  622   2HB   TYR  47          2HB       TYR  47 -18.940  -7.392  -8.342
  623    HD1  TYR  47           HD1      TYR  47 -18.122  -9.721  -7.918
  624    HD2  TYR  47           HD2      TYR  47 -15.613  -6.316  -7.456
  625    HE1  TYR  47           HE1      TYR  47 -16.569 -11.055  -6.558
  626    HE2  TYR  47           HE2      TYR  47 -14.053  -7.642  -6.099
  627    HH   TYR  47           HH       TYR  47 -14.213 -11.041  -5.894
  628    H    THR  48           H        THR  48 -20.275  -7.250 -10.056
  629    HA   THR  48           HA       THR  48 -20.513  -4.668 -11.425
  630    HB   THR  48           HB       THR  48 -22.637  -5.744 -12.527
  631    HG1  THR  48           HG1      THR  48 -21.227  -7.916 -11.555
  632   1HG2  THR  48          1HG2      THR  48 -21.331  -6.295 -14.525
  633   2HG2  THR  48          2HG2      THR  48 -19.856  -6.311 -13.558
  634   3HG2  THR  48          3HG2      THR  48 -20.753  -4.808 -13.773
  635    H    CYS  49           H        CYS  49 -22.472  -3.534 -10.912
  636    HA   CYS  49           HA       CYS  49 -23.629  -4.482  -8.376
  637   1HB   CYS  49          1HB       CYS  49 -22.336  -2.365  -8.272
  638   2HB   CYS  49          2HB       CYS  49 -23.465  -1.649  -9.417
  639    HG   CYS  49           HG       CYS  49 -25.596  -2.447  -7.410
  640    H    THR  50           H        THR  50 -24.349  -3.407 -11.592
  641    HA   THR  50           HA       THR  50 -26.218  -3.546 -12.865
  642    HB   THR  50           HB       THR  50 -27.480  -4.934 -10.492
  643    HG1  THR  50           HG1      THR  50 -26.607  -6.749 -11.260
  644   1HG2  THR  50          1HG2      THR  50 -29.033  -5.872 -12.142
  645   2HG2  THR  50          2HG2      THR  50 -28.278  -4.902 -13.406
  646   3HG2  THR  50          3HG2      THR  50 -29.145  -4.113 -12.089
  647    H    GLU  51           H        GLU  51 -27.963  -2.301 -13.351
  648    HA   GLU  51           HA       GLU  51 -29.659  -0.814 -13.194
  649   1HB   GLU  51          1HB       GLU  51 -29.319  -1.107 -10.208
  650   2HB   GLU  51          2HB       GLU  51 -30.580  -0.150 -10.974
  651   1HG   GLU  51          1HG       GLU  51 -31.538  -2.098 -11.978
  652   2HG   GLU  51          2HG       GLU  51 -30.193  -3.097 -11.431
  653    H    SER  52           H        SER  52 -28.215   0.458 -10.260
  654    HA   SER  52           HA       SER  52 -27.688   2.931 -11.702
  655   1HB   SER  52          1HB       SER  52 -28.900   3.020  -9.543
  656   2HB   SER  52          2HB       SER  52 -27.494   2.326  -8.737
  657    HG   SER  52           HG       SER  52 -27.984   4.874  -9.271
  658    H    GLN  53           H        GLN  53 -25.984   0.829  -9.407
  659    HA   GLN  53           HA       GLN  53 -23.854   0.096  -9.275
  660   1HB   GLN  53          1HB       GLN  53 -23.459   1.300 -12.015
  661   2HB   GLN  53          2HB       GLN  53 -22.356   0.198 -11.203
  662   1HG   GLN  53          1HG       GLN  53 -24.433  -1.365 -11.106
  663   2HG   GLN  53          2HG       GLN  53 -25.019  -0.342 -12.415
  664   1HE2  GLN  53          1HE2      GLN  53 -23.966  -0.374 -14.393
  665   2HE2  GLN  53          2HE2      GLN  53 -22.839  -1.619 -14.824
  666    H    SER  54           H        SER  54 -24.543   3.385  -9.828
  667    HA   SER  54           HA       SER  54 -21.936   4.243  -8.857
  668   1HB   SER  54          1HB       SER  54 -23.088   5.478 -10.720
  669   2HB   SER  54          2HB       SER  54 -24.352   5.929  -9.578
  670    HG   SER  54           HG       SER  54 -21.621   6.699  -9.605
  671    H    CYS  55           H        CYS  55 -22.439   2.973  -6.890
  672    HA   CYS  55           HA       CYS  55 -24.303   4.279  -5.062
  673   1HB   CYS  55          1HB       CYS  55 -22.687   1.748  -4.680
  674   2HB   CYS  55          2HB       CYS  55 -23.951   2.347  -3.611
  675    HG   CYS  55           HG       CYS  55 -24.354   0.146  -5.790
  676    H    LYS  56           H        LYS  56 -23.657   5.047  -3.044
  677    HA   LYS  56           HA       LYS  56 -21.029   6.234  -3.046
  678   1HB   LYS  56          1HB       LYS  56 -23.234   6.352  -0.980
  679   2HB   LYS  56          2HB       LYS  56 -21.798   7.366  -1.007
  680   1HG   LYS  56          1HG       LYS  56 -22.510   8.401  -3.061
  681   2HG   LYS  56          2HG       LYS  56 -23.893   7.310  -3.167
  682   1HD   LYS  56          1HD       LYS  56 -24.766   8.243  -1.067
  683   2HD   LYS  56          2HD       LYS  56 -23.398   9.355  -1.004
  684   1HE   LYS  56          1HE       LYS  56 -25.408  10.436  -1.892
  685   2HE   LYS  56          2HE       LYS  56 -24.111  10.384  -3.085
  686   1HZ   LYS  56          1HZ       LYS  56 -26.312   8.395  -2.986
  687   2HZ   LYS  56          2HZ       LYS  56 -25.180   8.621  -4.228
  688   3HZ   LYS  56          3HZ       LYS  56 -26.365   9.796  -3.937
  689    H    ILE  57           H        ILE  57 -19.503   6.003  -1.312
  690    HA   ILE  57           HA       ILE  57 -19.662   3.342  -0.057
  691    HB   ILE  57           HB       ILE  57 -17.192   4.828  -0.965
  692   1HG1  ILE  57          1HG1      ILE  57 -18.416   3.895  -2.842
  693   2HG1  ILE  57          2HG1      ILE  57 -16.966   2.939  -2.559
  694   1HG2  ILE  57          1HG2      ILE  57 -15.959   2.817  -0.324
  695   2HG2  ILE  57          2HG2      ILE  57 -17.445   2.105   0.308
  696   3HG2  ILE  57          3HG2      ILE  57 -16.765   3.546   1.065
  697   1HD1  ILE  57          1HD1      ILE  57 -18.307   1.245  -1.420
  698   2HD1  ILE  57          2HD1      ILE  57 -18.866   1.521  -3.069
  699   3HD1  ILE  57          3HD1      ILE  57 -19.759   2.202  -1.710
  700    H    ASP  58           H        ASP  58 -20.127   3.561   2.003
  701    HA   ASP  58           HA       ASP  58 -18.597   5.508   3.591
  702   1HB   ASP  58          1HB       ASP  58 -20.514   5.995   4.954
  703   2HB   ASP  58          2HB       ASP  58 -20.999   6.213   3.276
  704    H    LYS  59           H        LYS  59 -19.529   4.722   6.083
  705    HA   LYS  59           HA       LYS  59 -17.852   2.609   6.739
  706   1HB   LYS  59          1HB       LYS  59 -20.336   3.370   8.277
  707   2HB   LYS  59          2HB       LYS  59 -18.857   2.666   8.914
  708   1HG   LYS  59          1HG       LYS  59 -19.012   5.398   7.665
  709   2HG   LYS  59          2HG       LYS  59 -19.157   5.090   9.395
  710   1HD   LYS  59          1HD       LYS  59 -16.929   4.247   9.508
  711   2HD   LYS  59          2HD       LYS  59 -16.781   4.244   7.748
  712   1HE   LYS  59          1HE       LYS  59 -16.823   6.625   7.666
  713   2HE   LYS  59          2HE       LYS  59 -17.255   6.733   9.371
  714   1HZ   LYS  59          1HZ       LYS  59 -15.130   6.155  10.034
  715   2HZ   LYS  59          2HZ       LYS  59 -14.836   7.136   8.680
  716   3HZ   LYS  59          3HZ       LYS  59 -14.731   5.449   8.543
  717    H    THR  60           H        THR  60 -21.280   2.593   5.924
  718    HA   THR  60           HA       THR  60 -21.499  -0.239   6.565
  719    HB   THR  60           HB       THR  60 -23.901   0.041   5.929
  720    HG1  THR  60           HG1      THR  60 -23.057   2.752   5.564
  721   1HG2  THR  60          1HG2      THR  60 -23.179   0.271   8.251
  722   2HG2  THR  60          2HG2      THR  60 -24.500   1.382   7.891
  723   3HG2  THR  60          3HG2      THR  60 -22.845   1.982   7.987
  724    H    GLN  61           H        GLN  61 -21.849   1.844   3.690
  725    HA   GLN  61           HA       GLN  61 -22.526  -0.404   2.042
  726   1HB   GLN  61          1HB       GLN  61 -21.994   2.483   1.342
  727   2HB   GLN  61          2HB       GLN  61 -22.543   1.268   0.193
  728   1HG   GLN  61          1HG       GLN  61 -24.542   0.903   1.598
  729   2HG   GLN  61          2HG       GLN  61 -24.006   2.205   2.652
  730   1HE2  GLN  61          1HE2      GLN  61 -26.429   1.894   1.062
  731   2HE2  GLN  61          2HE2      GLN  61 -26.517   3.296   0.045
  732    H    ARG  62           H        ARG  62 -19.579   0.571   3.178
  733    HA   ARG  62           HA       ARG  62 -17.996   0.353   0.839
  734   1HB   ARG  62          1HB       ARG  62 -16.078   0.103   2.353
  735   2HB   ARG  62          2HB       ARG  62 -17.111   1.446   2.812
  736   1HG   ARG  62          1HG       ARG  62 -18.151  -0.084   4.522
  737   2HG   ARG  62          2HG       ARG  62 -16.861  -1.232   4.153
  738   1HD   ARG  62          1HD       ARG  62 -15.192   0.471   4.744
  739   2HD   ARG  62          2HD       ARG  62 -16.493   1.598   5.129
  740    HE   ARG  62           HE       ARG  62 -16.733  -0.830   6.606
  741   1HH1  ARG  62          1HH1      ARG  62 -14.940   2.193   6.499
  742   2HH1  ARG  62          2HH1      ARG  62 -14.676   2.227   8.213
  743   1HH2  ARG  62          1HH2      ARG  62 -16.370  -0.752   8.871
  744   2HH2  ARG  62          2HH2      ARG  62 -15.475   0.577   9.547
  745    H    LYS  63           H        LYS  63 -19.242  -2.041   3.089
  746    HA   LYS  63           HA       LYS  63 -17.828  -4.154   1.659
  747   1HB   LYS  63          1HB       LYS  63 -19.605  -4.232   4.101
  748   2HB   LYS  63          2HB       LYS  63 -18.881  -5.656   3.365
  749   1HG   LYS  63          1HG       LYS  63 -16.647  -4.596   3.738
  750   2HG   LYS  63          2HG       LYS  63 -17.467  -3.350   4.673
  751   1HD   LYS  63          1HD       LYS  63 -18.227  -4.941   6.281
  752   2HD   LYS  63          2HD       LYS  63 -17.694  -6.294   5.280
  753   1HE   LYS  63          1HE       LYS  63 -15.382  -5.657   5.586
  754   2HE   LYS  63          2HE       LYS  63 -15.865  -4.219   6.482
  755   1HZ   LYS  63          1HZ       LYS  63 -16.569  -6.947   7.392
  756   2HZ   LYS  63          2HZ       LYS  63 -16.586  -5.505   8.284
  757   3HZ   LYS  63          3HZ       LYS  63 -15.110  -6.201   7.824
  758    H    ARG  64           H        ARG  64 -20.675  -2.472   1.336
  759    HA   ARG  64           HA       ARG  64 -22.359  -4.733   0.672
  760   1HB   ARG  64          1HB       ARG  64 -22.885  -1.761   0.577
  761   2HB   ARG  64          2HB       ARG  64 -24.080  -2.992   0.192
  762   1HG   ARG  64          1HG       ARG  64 -23.875  -3.886   2.466
  763   2HG   ARG  64          2HG       ARG  64 -22.708  -2.619   2.845
  764   1HD   ARG  64          1HD       ARG  64 -24.416  -0.923   2.381
  765   2HD   ARG  64          2HD       ARG  64 -25.579  -2.197   2.022
  766    HE   ARG  64           HE       ARG  64 -24.473  -2.575   4.600
  767   1HH1  ARG  64          1HH1      ARG  64 -26.715  -0.504   2.862
  768   2HH1  ARG  64          2HH1      ARG  64 -27.696  -0.184   4.262
  769   1HH2  ARG  64          1HH2      ARG  64 -25.756  -2.143   6.441
  770   2HH2  ARG  64          2HH2      ARG  64 -27.146  -1.103   6.299
  771    H    CYS  65           H        CYS  65 -20.713  -2.110  -1.032
  772    HA   CYS  65           HA       CYS  65 -21.345  -3.520  -3.537
  773   1HB   CYS  65          1HB       CYS  65 -21.201  -0.557  -3.016
  774   2HB   CYS  65          2HB       CYS  65 -21.104  -1.235  -4.638
  775    HG   CYS  65           HG       CYS  65 -23.672  -2.690  -3.815
  776    HA   PRO  66           HA       PRO  66 -16.795  -3.759  -3.256
  777   1HB   PRO  66          1HB       PRO  66 -16.656  -5.812  -5.079
  778   2HB   PRO  66          2HB       PRO  66 -16.865  -6.040  -3.340
  779   1HG   PRO  66          1HG       PRO  66 -18.907  -6.092  -5.517
  780   2HG   PRO  66          2HG       PRO  66 -18.771  -7.124  -4.083
  781   1HD   PRO  66          1HD       PRO  66 -20.535  -5.086  -4.233
  782   2HD   PRO  66          2HD       PRO  66 -19.760  -5.555  -2.707
  783    H    PHE  67           H        PHE  67 -18.723  -4.068  -6.239
  784    HA   PHE  67           HA       PHE  67 -16.768  -3.164  -8.030
  785   1HB   PHE  67          1HB       PHE  67 -18.726  -4.263  -8.883
  786   2HB   PHE  67          2HB       PHE  67 -19.788  -3.060  -8.162
  787    HD1  PHE  67           HD1      PHE  67 -20.608  -1.372  -9.495
  788    HD2  PHE  67           HD2      PHE  67 -16.983  -3.302 -10.606
  789    HE1  PHE  67           HE1      PHE  67 -20.556  -0.072 -11.582
  790    HE2  PHE  67           HE2      PHE  67 -16.931  -2.007 -12.695
  791    HZ   PHE  67           HZ       PHE  67 -18.718  -0.389 -13.185
  792    H    CYS  68           H        CYS  68 -19.358  -1.388  -6.377
  793    HA   CYS  68           HA       CYS  68 -18.791   1.120  -7.498
  794   1HB   CYS  68          1HB       CYS  68 -20.019   0.577  -4.791
  795   2HB   CYS  68          2HB       CYS  68 -20.219   2.024  -5.777
  796    HG   CYS  68           HG       CYS  68 -21.710   0.818  -7.752
  797    H    ARG  69           H        ARG  69 -17.540  -0.540  -4.659
  798    HA   ARG  69           HA       ARG  69 -16.136   1.703  -3.622
  799   1HB   ARG  69          1HB       ARG  69 -16.754  -0.277  -2.264
  800   2HB   ARG  69          2HB       ARG  69 -15.583  -1.231  -3.166
  801   1HG   ARG  69          1HG       ARG  69 -13.790   0.227  -2.370
  802   2HG   ARG  69          2HG       ARG  69 -14.969   1.162  -1.448
  803   1HD   ARG  69          1HD       ARG  69 -15.548  -0.871  -0.186
  804   2HD   ARG  69          2HD       ARG  69 -14.302  -1.752  -1.074
  805    HE   ARG  69           HE       ARG  69 -13.295   0.597   0.210
  806   1HH1  ARG  69          1HH1      ARG  69 -14.122  -2.767   0.684
  807   2HH1  ARG  69          2HH1      ARG  69 -13.049  -2.972   2.032
  808   1HH2  ARG  69          1HH2      ARG  69 -11.889   0.341   1.991
  809   2HH2  ARG  69          2HH2      ARG  69 -11.776  -1.205   2.773
  810    H    PHE  70           H        PHE  70 -15.223  -1.004  -5.714
  811    HA   PHE  70           HA       PHE  70 -12.498  -0.371  -5.971
  812   1HB   PHE  70          1HB       PHE  70 -13.381  -2.510  -6.722
  813   2HB   PHE  70          2HB       PHE  70 -14.388  -1.709  -7.922
  814    HD1  PHE  70           HD1      PHE  70 -10.784  -1.848  -6.947
  815    HD2  PHE  70           HD2      PHE  70 -13.660  -1.777 -10.081
  816    HE1  PHE  70           HE1      PHE  70  -8.978  -2.067  -8.602
  817    HE2  PHE  70           HE2      PHE  70 -11.863  -1.996 -11.743
  818    HZ   PHE  70           HZ       PHE  70  -9.516  -2.141 -11.005
  819    H    GLN  71           H        GLN  71 -15.286   0.532  -7.979
  820    HA   GLN  71           HA       GLN  71 -13.854   2.247  -9.698
  821   1HB   GLN  71          1HB       GLN  71 -16.778   2.182  -8.954
  822   2HB   GLN  71          2HB       GLN  71 -16.114   3.235 -10.196
  823   1HG   GLN  71          1HG       GLN  71 -16.061   0.226 -10.196
  824   2HG   GLN  71          2HG       GLN  71 -17.100   1.257 -11.179
  825   1HE2  GLN  71          1HE2      GLN  71 -14.968   3.209 -11.665
  826   2HE2  GLN  71          2HE2      GLN  71 -13.895   2.468 -12.813
  827    H    LYS  72           H        LYS  72 -15.384   2.741  -6.581
  828    HA   LYS  72           HA       LYS  72 -15.272   5.521  -6.426
  829   1HB   LYS  72          1HB       LYS  72 -16.397   3.964  -4.802
  830   2HB   LYS  72          2HB       LYS  72 -14.808   3.579  -4.155
  831   1HG   LYS  72          1HG       LYS  72 -15.756   5.194  -2.724
  832   2HG   LYS  72          2HG       LYS  72 -14.525   6.026  -3.678
  833   1HD   LYS  72          1HD       LYS  72 -16.469   6.600  -5.267
  834   2HD   LYS  72          2HD       LYS  72 -17.508   6.171  -3.906
  835   1HE   LYS  72          1HE       LYS  72 -16.289   7.797  -2.510
  836   2HE   LYS  72          2HE       LYS  72 -15.338   8.251  -3.925
  837   1HZ   LYS  72          1HZ       LYS  72 -17.456   8.870  -5.021
  838   2HZ   LYS  72          2HZ       LYS  72 -17.085   9.818  -3.664
  839   3HZ   LYS  72          3HZ       LYS  72 -18.259   8.602  -3.549
  840    H    CYS  73           H        CYS  73 -12.878   3.067  -5.522
  841    HA   CYS  73           HA       CYS  73 -10.878   4.783  -4.577
  842   1HB   CYS  73          1HB       CYS  73 -10.548   2.126  -5.999
  843   2HB   CYS  73          2HB       CYS  73  -9.337   2.914  -4.992
  844    HG   CYS  73           HG       CYS  73 -12.338   1.664  -3.915
  845    H    LEU  74           H        LEU  74 -11.514   3.524  -7.835
  846    HA   LEU  74           HA       LEU  74  -9.291   4.836  -9.037
  847   1HB   LEU  74          1HB       LEU  74 -11.830   3.825 -10.296
  848   2HB   LEU  74          2HB       LEU  74 -10.363   4.253 -11.152
  849    HG   LEU  74           HG       LEU  74 -10.627   2.007  -9.159
  850   1HD1  LEU  74          1HD1      LEU  74 -10.376   0.581 -11.132
  851   2HD1  LEU  74          2HD1      LEU  74 -10.431   2.019 -12.156
  852   3HD1  LEU  74          3HD1      LEU  74 -11.839   1.564 -11.194
  853   1HD2  LEU  74          1HD2      LEU  74  -8.396   1.378  -9.937
  854   2HD2  LEU  74          2HD2      LEU  74  -8.395   2.974  -9.185
  855   3HD2  LEU  74          3HD2      LEU  74  -8.341   2.829 -10.940
  856    H    THR  75           H        THR  75 -12.603   5.730  -8.424
  857    HA   THR  75           HA       THR  75 -12.874   7.939 -10.101
  858    HB   THR  75           HB       THR  75 -14.049   7.411  -7.370
  859    HG1  THR  75           HG1      THR  75 -14.653   5.978  -9.087
  860   1HG2  THR  75          1HG2      THR  75 -14.069   9.812  -7.808
  861   2HG2  THR  75          2HG2      THR  75 -15.702   9.144  -7.895
  862   3HG2  THR  75          3HG2      THR  75 -14.826   9.529  -9.377
  863    H    VAL  76           H        VAL  76 -11.714   7.771  -6.740
  864    HA   VAL  76           HA       VAL  76 -11.185  10.545  -6.573
  865    HB   VAL  76           HB       VAL  76 -10.022  10.105  -4.515
  866   1HG1  VAL  76          1HG1      VAL  76 -11.745   8.874  -3.287
  867   2HG1  VAL  76          2HG1      VAL  76 -12.400   8.275  -4.812
  868   3HG1  VAL  76          3HG1      VAL  76 -12.447  10.000  -4.448
  869   1HG2  VAL  76          1HG2      VAL  76  -8.672   8.200  -5.191
  870   2HG2  VAL  76          2HG2      VAL  76 -10.113   7.185  -5.266
  871   3HG2  VAL  76          3HG2      VAL  76  -9.569   7.832  -3.718
  872    H    GLY  77           H        GLY  77  -9.505   7.930  -8.049
  873   1HA   GLY  77          1HA       GLY  77  -7.901   8.584  -9.735
  874   2HA   GLY  77          2HA       GLY  77  -7.340   9.843  -8.647
  875    H    MET  78           H        MET  78  -7.966   6.746  -7.247
  876    HA   MET  78           HA       MET  78  -5.243   6.342  -6.569
  877   1HB   MET  78          1HB       MET  78  -7.605   4.457  -6.521
  878   2HB   MET  78          2HB       MET  78  -6.003   4.009  -5.950
  879   1HG   MET  78          1HG       MET  78  -6.101   5.827  -4.304
  880   2HG   MET  78          2HG       MET  78  -7.727   6.219  -4.856
  881   1HE   MET  78          1HE       MET  78  -5.459   3.502  -3.137
  882   2HE   MET  78          2HE       MET  78  -6.160   2.635  -4.504
  883   3HE   MET  78          3HE       MET  78  -6.623   2.206  -2.856
  884    H    ARG  79           H        ARG  79  -3.731   5.927  -7.969
  885    HA   ARG  79           HA       ARG  79  -4.198   5.291 -10.637
  886   1HB   ARG  79          1HB       ARG  79  -1.659   5.036  -9.026
  887   2HB   ARG  79          2HB       ARG  79  -1.741   4.940 -10.780
  888   1HG   ARG  79          1HG       ARG  79  -2.562   7.327  -9.138
  889   2HG   ARG  79          2HG       ARG  79  -1.025   7.148  -9.986
  890   1HD   ARG  79          1HD       ARG  79  -2.183   7.022 -12.114
  891   2HD   ARG  79          2HD       ARG  79  -3.742   7.100 -11.295
  892    HE   ARG  79           HE       ARG  79  -2.871   9.373 -10.485
  893   1HH1  ARG  79          1HH1      ARG  79  -2.154   7.937 -13.594
  894   2HH1  ARG  79          2HH1      ARG  79  -1.893   9.459 -14.391
  895   1HH2  ARG  79          1HH2      ARG  79  -2.606  11.392 -11.547
  896   2HH2  ARG  79          2HH2      ARG  79  -2.198  11.423 -13.239
  897    H    LEU  80           H        LEU  80  -5.038   3.530 -11.357
  898    HA   LEU  80           HA       LEU  80  -4.833   0.972 -10.123
  899   1HB   LEU  80          1HB       LEU  80  -6.756   1.725 -11.489
  900   2HB   LEU  80          2HB       LEU  80  -5.726   1.745 -12.906
  901    HG   LEU  80           HG       LEU  80  -5.395  -0.719 -12.613
  902   1HD1  LEU  80          1HD1      LEU  80  -7.590  -0.391 -10.576
  903   2HD1  LEU  80          2HD1      LEU  80  -5.926  -0.868 -10.242
  904   3HD1  LEU  80          3HD1      LEU  80  -6.973  -1.923 -11.191
  905   1HD2  LEU  80          1HD2      LEU  80  -6.983   0.196 -14.213
  906   2HD2  LEU  80          2HD2      LEU  80  -8.227   0.246 -12.963
  907   3HD2  LEU  80          3HD2      LEU  80  -7.589  -1.305 -13.509
  908    H    GLU  81           H        GLU  81  -3.188   2.665 -12.686
  909    HA   GLU  81           HA       GLU  81  -1.652   0.404 -13.549
  910   1HB   GLU  81          1HB       GLU  81  -0.360   2.099 -14.844
  911   2HB   GLU  81          2HB       GLU  81  -2.090   2.140 -15.146
  912   1HG   GLU  81          1HG       GLU  81  -2.288   4.058 -13.622
  913   2HG   GLU  81          2HG       GLU  81  -0.540   4.026 -13.389
  914    H    ALA  82           H        ALA  82  -1.533   2.139 -10.752
  915    HA   ALA  82           HA       ALA  82   1.353   2.270 -10.491
  916   1HB   ALA  82          1HB       ALA  82  -0.036   3.992  -9.434
  917   2HB   ALA  82          2HB       ALA  82   0.932   3.118  -8.246
  918   3HB   ALA  82          3HB       ALA  82  -0.786   2.761  -8.418
  919    H    VAL  83           H        VAL  83  -1.315   0.278  -9.332
  920    HA   VAL  83           HA       VAL  83   0.406  -1.328  -7.688
  921    HB   VAL  83           HB       VAL  83  -1.865  -1.120  -6.947
  922   1HG1  VAL  83          1HG1      VAL  83  -2.692  -2.338  -9.576
  923   2HG1  VAL  83          2HG1      VAL  83  -2.951  -0.668  -9.072
  924   3HG1  VAL  83          3HG1      VAL  83  -3.766  -1.983  -8.224
  925   1HG2  VAL  83          1HG2      VAL  83  -1.433  -3.909  -8.012
  926   2HG2  VAL  83          2HG2      VAL  83  -2.492  -3.451  -6.679
  927   3HG2  VAL  83          3HG2      VAL  83  -0.745  -3.262  -6.520
  928    H    ARG  84           H        ARG  84   1.781  -2.684  -8.494
  929    HA   ARG  84           HA       ARG  84   1.161  -4.060 -11.010
  930   1HB   ARG  84          1HB       ARG  84   3.801  -3.621  -9.595
  931   2HB   ARG  84          2HB       ARG  84   3.604  -4.528 -11.093
  932   1HG   ARG  84          1HG       ARG  84   2.872  -2.569 -12.258
  933   2HG   ARG  84          2HG       ARG  84   2.826  -1.639 -10.762
  934   1HD   ARG  84          1HD       ARG  84   5.242  -1.847 -10.546
  935   2HD   ARG  84          2HD       ARG  84   5.301  -2.821 -12.015
  936    HE   ARG  84           HE       ARG  84   4.269  -0.706 -13.074
  937   1HH1  ARG  84          1HH1      ARG  84   6.524  -0.675 -10.400
  938   2HH1  ARG  84          2HH1      ARG  84   7.258   0.824 -10.862
  939   1HH2  ARG  84          1HH2      ARG  84   5.232   1.289 -13.694
  940   2HH2  ARG  84          2HH2      ARG  84   6.528   1.936 -12.735
  941    H    ALA  85           H        ALA  85   0.168  -5.899 -10.630
  942    HA   ALA  85           HA       ALA  85   0.261  -7.142  -8.047
  943   1HB   ALA  85          1HB       ALA  85  -1.163  -8.029 -10.551
  944   2HB   ALA  85          2HB       ALA  85  -1.821  -6.951  -9.319
  945   3HB   ALA  85          3HB       ALA  85  -1.449  -8.628  -8.916
  946    H    ASP  86           H        ASP  86   2.353  -7.351 -10.535
  947    HA   ASP  86           HA       ASP  86   2.841 -10.110 -10.802
  948   1HB   ASP  86          1HB       ASP  86   4.793  -7.800 -11.024
  949   2HB   ASP  86          2HB       ASP  86   5.066  -9.432 -11.625
  950    H    ARG  87           H        ARG  87   5.304  -8.075  -9.344
  951    HA   ARG  87           HA       ARG  87   4.916  -8.879  -6.660
  952   1HB   ARG  87          1HB       ARG  87   5.825 -11.018  -7.658
  953   2HB   ARG  87          2HB       ARG  87   7.315 -10.150  -8.001
  954   1HG   ARG  87          1HG       ARG  87   7.573 -11.428  -5.980
  955   2HG   ARG  87          2HG       ARG  87   7.582  -9.708  -5.589
  956   1HD   ARG  87          1HD       ARG  87   5.139  -9.925  -5.033
  957   2HD   ARG  87          2HD       ARG  87   5.327 -11.671  -5.206
  958    HE   ARG  87           HE       ARG  87   6.539  -9.990  -3.126
  959   1HH1  ARG  87          1HH1      ARG  87   5.875 -13.184  -4.414
  960   2HH1  ARG  87          2HH1      ARG  87   6.245 -13.991  -2.916
  961   1HH2  ARG  87          1HH2      ARG  87   6.989 -11.044  -1.163
  962   2HH2  ARG  87          2HH2      ARG  87   6.852 -12.780  -1.059
  963    H    MET  88           H        MET  88   5.361  -6.495  -8.217
  964    HA   MET  88           HA       MET  88   8.061  -5.675  -7.448
  965   1HB   MET  88          1HB       MET  88   6.068  -4.595  -9.402
  966   2HB   MET  88          2HB       MET  88   7.320  -3.539  -8.761
  967   1HG   MET  88          1HG       MET  88   7.795  -6.142 -10.184
  968   2HG   MET  88          2HG       MET  88   7.952  -4.537 -10.901
  969   1HE   MET  88          1HE       MET  88   9.781  -2.751 -10.124
  970   2HE   MET  88          2HE       MET  88  10.959  -3.052  -8.846
  971   3HE   MET  88          3HE       MET  88   9.246  -2.906  -8.451
  972    H    ARG  89           H        ARG  89   8.184  -5.013  -5.476
  973    HA   ARG  89           HA       ARG  89   5.928  -3.883  -4.081
  974   1HB   ARG  89          1HB       ARG  89   8.742  -4.587  -3.273
  975   2HB   ARG  89          2HB       ARG  89   7.606  -3.818  -2.171
  976   1HG   ARG  89          1HG       ARG  89   6.276  -5.676  -2.020
  977   2HG   ARG  89          2HG       ARG  89   6.772  -6.291  -3.598
  978   1HD   ARG  89          1HD       ARG  89   8.580  -6.171  -1.194
  979   2HD   ARG  89          2HD       ARG  89   7.628  -7.589  -1.638
  980    HE   ARG  89           HE       ARG  89   9.492  -6.463  -3.605
  981   1HH1  ARG  89          1HH1      ARG  89   8.590  -9.035  -1.418
  982   2HH1  ARG  89          2HH1      ARG  89   9.739 -10.173  -2.064
  983   1HH2  ARG  89          1HH2      ARG  89  11.022  -7.941  -4.462
  984   2HH2  ARG  89          2HH2      ARG  89  11.145  -9.538  -3.786
  985    H    GLY  90           H        GLY  90   6.146  -2.110  -5.879
  986   1HA   GLY  90          1HA       GLY  90   6.111   0.313  -5.198
  987   2HA   GLY  90          2HA       GLY  90   7.802   0.070  -4.783
  988    H    GLY  91           H        GLY  91   9.048   1.023  -6.221
  989   1HA   GLY  91          1HA       GLY  91  10.018   1.267  -8.354
  990   2HA   GLY  91          2HA       GLY  91   8.567   0.568  -9.066
  991    H    ARG  92           H        ARG  92   9.478   3.393  -7.106
  992    HA   ARG  92           HA       ARG  92   7.336   4.958  -8.243
  993   1HB   ARG  92          1HB       ARG  92   8.051   5.174  -5.867
  994   2HB   ARG  92          2HB       ARG  92   9.598   5.798  -6.417
  995   1HG   ARG  92          1HG       ARG  92   8.276   7.642  -7.560
  996   2HG   ARG  92          2HG       ARG  92   6.895   7.083  -6.612
  997   1HD   ARG  92          1HD       ARG  92   9.533   8.108  -5.571
  998   2HD   ARG  92          2HD       ARG  92   7.959   8.890  -5.435
  999    HE   ARG  92           HE       ARG  92   7.399   6.747  -4.093
 1000   1HH1  ARG  92          1HH1      ARG  92  10.489   8.384  -4.118
 1001   2HH1  ARG  92          2HH1      ARG  92  10.905   7.916  -2.498
 1002   1HH2  ARG  92          1HH2      ARG  92   7.939   6.117  -1.943
 1003   2HH2  ARG  92          2HH2      ARG  92   9.455   6.638  -1.259
 1004    H    ASN  93           H        ASN  93   7.923   4.955 -10.457
 1005    HA   ASN  93           HA       ASN  93  10.056   6.865 -11.066
 1006   1HB   ASN  93          1HB       ASN  93  10.831   5.507 -12.953
 1007   2HB   ASN  93          2HB       ASN  93  11.007   4.644 -11.434
 1008   1HD2  ASN  93          1HD2      ASN  93  10.914   3.624 -14.125
 1009   2HD2  ASN  93          2HD2      ASN  93   9.586   2.506 -14.187
 1010    H    LYS  94           H        LYS  94   7.464   4.976 -12.627
 1011    HA   LYS  94           HA       LYS  94   6.990   6.780 -14.715
 1012   1HB   LYS  94          1HB       LYS  94   6.186   4.472 -14.755
 1013   2HB   LYS  94          2HB       LYS  94   5.107   4.805 -13.407
 1014   1HG   LYS  94          1HG       LYS  94   3.893   4.760 -15.509
 1015   2HG   LYS  94          2HG       LYS  94   3.849   6.372 -14.791
 1016   1HD   LYS  94          1HD       LYS  94   5.771   6.986 -16.277
 1017   2HD   LYS  94          2HD       LYS  94   5.568   5.427 -17.079
 1018   1HE   LYS  94          1HE       LYS  94   3.283   6.032 -17.685
 1019   2HE   LYS  94          2HE       LYS  94   3.470   7.582 -16.866
 1020   1HZ   LYS  94          1HZ       LYS  94   3.800   7.882 -19.201
 1021   2HZ   LYS  94          2HZ       LYS  94   4.958   6.646 -19.255
 1022   3HZ   LYS  94          3HZ       LYS  94   5.298   8.083 -18.426
 1023    H    PHE  95           H        PHE  95   5.795   6.658 -11.442
 1024    HA   PHE  95           HA       PHE  95   3.978   8.893 -11.966
 1025   1HB   PHE  95          1HB       PHE  95   4.227   7.164  -9.495
 1026   2HB   PHE  95          2HB       PHE  95   2.969   8.356  -9.814
 1027    HD1  PHE  95           HD1      PHE  95   4.141   4.994 -10.436
 1028    HD2  PHE  95           HD2      PHE  95   1.303   7.949 -11.583
 1029    HE1  PHE  95           HE1      PHE  95   2.803   3.265 -11.560
 1030    HE2  PHE  95           HE2      PHE  95  -0.044   6.223 -12.705
 1031    HZ   PHE  95           HZ       PHE  95   0.709   3.880 -12.695
 1032    H    GLY  96           H        GLY  96   7.054   8.750 -11.472
 1033   1HA   GLY  96          1HA       GLY  96   7.774   9.869  -9.058
 1034   2HA   GLY  96          2HA       GLY  96   8.632  10.141 -10.564
 1035    HA   PRO  97           HA       PRO  97   7.568  14.374 -10.839
 1036   1HB   PRO  97          1HB       PRO  97   5.778  13.998 -13.177
 1037   2HB   PRO  97          2HB       PRO  97   7.209  15.019 -13.005
 1038   1HG   PRO  97          1HG       PRO  97   7.308  12.770 -14.426
 1039   2HG   PRO  97          2HG       PRO  97   8.672  13.264 -13.406
 1040   1HD   PRO  97          1HD       PRO  97   6.580  11.187 -12.899
 1041   2HD   PRO  97          2HD       PRO  97   8.319  11.148 -12.539
 1042    H    MET  98           H        MET  98   4.590  12.524 -11.595
 1043    HA   MET  98           HA       MET  98   2.933  14.681 -10.762
 1044   1HB   MET  98          1HB       MET  98   1.044  13.117 -11.069
 1045   2HB   MET  98          2HB       MET  98   2.104  13.219 -12.459
 1046   1HG   MET  98          1HG       MET  98   1.581  10.979 -12.289
 1047   2HG   MET  98          2HG       MET  98   3.194  11.119 -11.607
 1048   1HE   MET  98          1HE       MET  98  -0.649  10.863 -10.729
 1049   2HE   MET  98          2HE       MET  98  -0.092  12.241  -9.780
 1050   3HE   MET  98          3HE       MET  98  -0.582  10.753  -8.970
 1051    H    TYR  99           H        TYR  99   4.140  11.807  -9.157
 1052    HA   TYR  99           HA       TYR  99   2.345  11.935  -6.961
 1053   1HB   TYR  99          1HB       TYR  99   3.575   9.880  -7.552
 1054   2HB   TYR  99          2HB       TYR  99   5.088  10.663  -7.113
 1055    HD1  TYR  99           HD1      TYR  99   1.853   9.468  -5.757
 1056    HD2  TYR  99           HD2      TYR  99   5.829  10.696  -4.877
 1057    HE1  TYR  99           HE1      TYR  99   1.565   8.700  -3.438
 1058    HE2  TYR  99           HE2      TYR  99   5.559   9.934  -2.557
 1059    HH   TYR  99           HH       TYR  99   2.887   8.037  -1.531
 1060    H    LYS 100           H        LYS 100   5.698  13.047  -7.416
 1061    HA   LYS 100           HA       LYS 100   5.902  14.148  -4.807
 1062   1HB   LYS 100          1HB       LYS 100   7.920  15.265  -5.602
 1063   2HB   LYS 100          2HB       LYS 100   7.901  13.584  -6.114
 1064   1HG   LYS 100          1HG       LYS 100   7.283  14.220  -8.348
 1065   2HG   LYS 100          2HG       LYS 100   7.111  15.904  -7.853
 1066   1HD   LYS 100          1HD       LYS 100   9.463  16.039  -7.356
 1067   2HD   LYS 100          2HD       LYS 100   9.675  14.333  -7.755
 1068   1HE   LYS 100          1HE       LYS 100   9.051  14.762 -10.053
 1069   2HE   LYS 100          2HE       LYS 100   8.711  16.451  -9.673
 1070   1HZ   LYS 100          1HZ       LYS 100  10.889  16.114 -10.729
 1071   2HZ   LYS 100          2HZ       LYS 100  11.376  15.168  -9.408
 1072   3HZ   LYS 100          3HZ       LYS 100  11.017  16.812  -9.187
 1073    H    ARG 101           H        ARG 101   4.779  15.386  -7.888
 1074    HA   ARG 101           HA       ARG 101   4.807  18.122  -7.221
 1075   1HB   ARG 101          1HB       ARG 101   4.603  17.335  -9.528
 1076   2HB   ARG 101          2HB       ARG 101   3.033  16.635  -9.163
 1077   1HG   ARG 101          1HG       ARG 101   2.161  18.883  -8.687
 1078   2HG   ARG 101          2HG       ARG 101   3.732  19.563  -9.121
 1079   1HD   ARG 101          1HD       ARG 101   1.952  17.941 -10.935
 1080   2HD   ARG 101          2HD       ARG 101   2.132  19.695 -10.974
 1081    HE   ARG 101           HE       ARG 101   4.496  19.305 -11.577
 1082   1HH1  ARG 101          1HH1      ARG 101   2.214  16.682 -12.025
 1083   2HH1  ARG 101          2HH1      ARG 101   3.120  15.955 -13.324
 1084   1HH2  ARG 101          1HH2      ARG 101   5.671  18.370 -13.275
 1085   2HH2  ARG 101          2HH2      ARG 101   5.077  16.936 -14.059
 1086    H    ASP 102           H        ASP 102   2.071  15.822  -7.283
 1087    HA   ASP 102           HA       ASP 102   0.190  17.571  -6.164
 1088   1HB   ASP 102          1HB       ASP 102   0.379  14.599  -6.419
 1089   2HB   ASP 102          2HB       ASP 102  -0.872  15.281  -5.386
 1090    H    ARG 103           H        ARG 103   2.399  15.279  -4.659
 1091    HA   ARG 103           HA       ARG 103   1.442  15.556  -2.021
 1092   1HB   ARG 103          1HB       ARG 103   2.865  13.699  -2.816
 1093   2HB   ARG 103          2HB       ARG 103   4.213  14.813  -2.974
 1094   1HG   ARG 103          1HG       ARG 103   4.301  15.146  -0.609
 1095   2HG   ARG 103          2HG       ARG 103   2.808  14.231  -0.379
 1096   1HD   ARG 103          1HD       ARG 103   3.892  12.215  -1.188
 1097   2HD   ARG 103          2HD       ARG 103   5.374  13.115  -1.506
 1098    HE   ARG 103           HE       ARG 103   5.307  13.549   1.018
 1099   1HH1  ARG 103          1HH1      ARG 103   4.135  10.612  -0.501
 1100   2HH1  ARG 103          2HH1      ARG 103   4.459   9.627   0.887
 1101   1HH2  ARG 103          1HH2      ARG 103   5.734  12.255   2.820
 1102   2HH2  ARG 103          2HH2      ARG 103   5.369  10.554   2.783
 1103    H    ALA 104           H        ALA 104   3.910  17.315  -3.851
 1104    HA   ALA 104           HA       ALA 104   4.772  18.870  -1.601
 1105   1HB   ALA 104          1HB       ALA 104   6.063  20.153  -3.216
 1106   2HB   ALA 104          2HB       ALA 104   5.210  19.365  -4.543
 1107   3HB   ALA 104          3HB       ALA 104   6.264  18.423  -3.489
 1108    H    LEU 105           H        LEU 105   2.508  19.338  -4.266
 1109    HA   LEU 105           HA       LEU 105   1.965  22.065  -3.818
 1110   1HB   LEU 105          1HB       LEU 105   0.215  19.903  -4.989
 1111   2HB   LEU 105          2HB       LEU 105  -0.173  21.612  -5.026
 1112    HG   LEU 105           HG       LEU 105   2.151  20.266  -6.400
 1113   1HD1  LEU 105          1HD1      LEU 105   0.004  19.902  -7.487
 1114   2HD1  LEU 105          2HD1      LEU 105   1.020  20.981  -8.442
 1115   3HD1  LEU 105          3HD1      LEU 105  -0.305  21.638  -7.482
 1116   1HD2  LEU 105          1HD2      LEU 105   2.791  22.469  -5.563
 1117   2HD2  LEU 105          2HD2      LEU 105   1.380  23.180  -6.347
 1118   3HD2  LEU 105          3HD2      LEU 105   2.663  22.463  -7.322
 1119    H    LYS 106           H        LYS 106   0.571  19.127  -2.463
 1120    HA   LYS 106           HA       LYS 106  -1.501  20.397  -1.014
 1121   1HB   LYS 106          1HB       LYS 106  -1.485  17.977  -1.464
 1122   2HB   LYS 106          2HB       LYS 106  -0.097  17.795  -0.398
 1123   1HG   LYS 106          1HG       LYS 106  -1.408  18.541   1.492
 1124   2HG   LYS 106          2HG       LYS 106  -2.796  18.826   0.442
 1125   1HD   LYS 106          1HD       LYS 106  -2.842  16.434  -0.106
 1126   2HD   LYS 106          2HD       LYS 106  -1.495  16.169   1.004
 1127   1HE   LYS 106          1HE       LYS 106  -3.547  15.617   2.132
 1128   2HE   LYS 106          2HE       LYS 106  -2.885  17.091   2.837
 1129   1HZ   LYS 106          1HZ       LYS 106  -5.221  17.376   2.534
 1130   2HZ   LYS 106          2HZ       LYS 106  -5.139  16.882   0.917
 1131   3HZ   LYS 106          3HZ       LYS 106  -4.441  18.356   1.384
 1132    H    GLN 107           H        GLN 107   1.883  19.898  -0.404
 1133    HA   GLN 107           HA       GLN 107   1.726  20.600   2.384
 1134   1HB   GLN 107          1HB       GLN 107   4.052  20.245   0.500
 1135   2HB   GLN 107          2HB       GLN 107   4.246  20.725   2.178
 1136   1HG   GLN 107          1HG       GLN 107   3.128  18.632   2.861
 1137   2HG   GLN 107          2HG       GLN 107   3.077  18.148   1.165
 1138   1HE2  GLN 107          1HE2      GLN 107   4.376  16.354   1.549
 1139   2HE2  GLN 107          2HE2      GLN 107   6.072  16.490   1.870
 1140    H    GLN 108           H        GLN 108   3.333  22.132  -0.407
 1141    HA   GLN 108           HA       GLN 108   4.196  24.211  -0.682
 1142   1HB   GLN 108          1HB       GLN 108   1.556  24.821   0.622
 1143   2HB   GLN 108          2HB       GLN 108   2.631  26.093   0.055
 1144   1HG   GLN 108          1HG       GLN 108   1.332  23.937  -1.589
 1145   2HG   GLN 108          2HG       GLN 108   0.975  25.663  -1.615
 1146   1HE2  GLN 108          1HE2      GLN 108   1.796  23.912  -3.783
 1147   2HE2  GLN 108          2HE2      GLN 108   3.259  24.582  -4.423
 1148    H    LYS 109           H        LYS 109   5.101  22.786   1.567
 1149    HA   LYS 109           HA       LYS 109   5.222  24.620   3.802
 1150   1HB   LYS 109          1HB       LYS 109   5.094  22.079   3.987
 1151   2HB   LYS 109          2HB       LYS 109   6.770  22.051   3.457
 1152   1HG   LYS 109          1HG       LYS 109   7.444  23.323   5.397
 1153   2HG   LYS 109          2HG       LYS 109   5.762  23.482   5.907
 1154   1HD   LYS 109          1HD       LYS 109   6.757  21.734   7.201
 1155   2HD   LYS 109          2HD       LYS 109   5.650  20.988   6.047
 1156   1HE   LYS 109          1HE       LYS 109   7.660  19.693   6.094
 1157   2HE   LYS 109          2HE       LYS 109   7.603  20.559   4.560
 1158   1HZ   LYS 109          1HZ       LYS 109   9.185  21.346   6.948
 1159   2HZ   LYS 109          2HZ       LYS 109   9.121  22.211   5.493
 1160   3HZ   LYS 109          3HZ       LYS 109   9.803  20.658   5.525
 1161    H    LYS 110           H        LYS 110   7.105  23.683   1.055
 1162    HA   LYS 110           HA       LYS 110   9.574  24.845   1.824
 1163   1HB   LYS 110          1HB       LYS 110   8.346  24.215  -0.855
 1164   2HB   LYS 110          2HB       LYS 110   9.926  24.970  -0.709
 1165   1HG   LYS 110          1HG       LYS 110   9.207  22.333   0.549
 1166   2HG   LYS 110          2HG       LYS 110   9.964  22.498  -1.037
 1167   1HD   LYS 110          1HD       LYS 110  11.850  23.681   0.005
 1168   2HD   LYS 110          2HD       LYS 110  11.096  23.471   1.586
 1169   1HE   LYS 110          1HE       LYS 110  11.935  21.228  -0.247
 1170   2HE   LYS 110          2HE       LYS 110  12.869  21.810   1.129
 1171   1HZ   LYS 110          1HZ       LYS 110  11.602  19.859   1.723
 1172   2HZ   LYS 110          2HZ       LYS 110  10.156  20.605   1.251
 1173   3HZ   LYS 110          3HZ       LYS 110  11.023  21.204   2.580
 1174    H    ALA 111           H        ALA 111   9.506  26.889   2.565
 1175    HA   ALA 111           HA       ALA 111   8.593  28.923   0.656
 1176   1HB   ALA 111          1HB       ALA 111   8.157  29.033   3.641
 1177   2HB   ALA 111          2HB       ALA 111   6.912  28.739   2.427
 1178   3HB   ALA 111          3HB       ALA 111   7.738  30.295   2.483
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  30.380   4.273   0.136
    2   2H5*    G   1          2H5*        G   1  29.518   2.725   0.078
    3    H4*    G   1           H4*        G   1  29.240   4.434   2.068
    4    H3*    G   1           H3*        G   1  27.882   2.167   1.407
    5    H1*    G   1           H1*        G   1  26.141   5.504   2.115
    6    H8     G   1           H8         G   1  26.151   4.772  -1.702
    7    H1     G   1           H1         G   1  22.150   9.371   0.312
    8   1H2     G   1          1H2         G   1  22.341   9.631   2.494
    9   2H2     G   1          2H2         G   1  23.457   8.684   3.453
   10    H5T    G   1           H5T        G   1  28.005   4.707  -0.961
   11   1H2*    G   1          1H2*        G   1  26.139   3.185   0.117
   12   2H2*    G   1          2H2*        G   1  25.416   3.234   1.719
   13   1H5*    G   2          1H5*        G   2  26.760   4.601   4.650
   14   2H5*    G   2          2H5*        G   2  26.741   4.088   6.350
   15    H4*    G   2           H4*        G   2  25.150   5.723   6.356
   16    H3*    G   2           H3*        G   2  24.093   3.198   6.693
   17    H1*    G   2           H1*        G   2  22.513   6.030   4.739
   18    H8     G   2           H8         G   2  23.945   3.512   2.145
   19    H1     G   2           H1         G   2  19.314   7.442   0.056
   20   1H2     G   2          1H2         G   2  18.623   8.732   1.705
   21   2H2     G   2          2H2         G   2  19.294   8.626   3.317
   22   1H2*    G   2          1H2*        G   2  23.064   3.017   4.542
   23   2H2*    G   2          2H2*        G   2  21.773   3.807   5.437
   24   1H5*    C   3          1H5*        C   3  21.811   6.866   8.620
   25   2H5*    C   3          2H5*        C   3  21.003   6.343  10.113
   26    H4*    C   3           H4*        C   3  19.741   8.086   9.029
   27    H3*    C   3           H3*        C   3  18.547   5.866   9.997
   28    H1*    C   3           H1*        C   3  17.686   7.193   6.463
   29   1H4     C   3          1H4         C   3  19.078   3.751   1.335
   30   2H4     C   3          2H4         C   3  20.232   2.778   2.216
   31    H5     C   3           H5         C   3  20.659   3.062   4.579
   32    H6     C   3           H6         C   3  20.136   4.393   6.553
   33   1H2*    C   3          1H2*        C   3  18.388   4.623   7.955
   34   2H2*    C   3          2H2*        C   3  16.854   5.482   7.918
   35   1H5*    T   4          1H5*        T   4  16.502   8.348   6.625
   36   2H5*    T   4          2H5*        T   4  15.783   9.310   7.934
   37    H4*    T   4           H4*        T   4  14.440   9.891   6.193
   38    H3*    T   4           H3*        T   4  13.068   8.523   8.021
   39   1H2*    T   4          1H2*        T   4  13.351   6.316   7.112
   40   2H2*    T   4          2H2*        T   4  11.812   6.775   6.399
   41    H1*    T   4           H1*        T   4  12.804   7.372   4.307
   42    H3     T   4           H3         T   4  14.222   3.741   2.179
   43   1H5M    T   4          1H5M        T   4  16.558   2.223   5.864
   44   2H5M    T   4          2H5M        T   4  17.600   3.665   5.875
   45   3H5M    T   4          3H5M        T   4  16.317   3.485   7.096
   46    H6     T   4           H6         T   4  15.244   5.584   6.457
   47   1H5*    C   5          1H5*        C   5  10.595  10.411   4.319
   48   2H5*    C   5          2H5*        C   5   8.961  10.750   4.926
   49    H4*    C   5           H4*        C   5   9.092  10.235   2.497
   50    H3*    C   5           H3*        C   5   7.039   9.608   4.102
   51    H1*    C   5           H1*        C   5   8.636   6.815   1.894
   52   1H4     C   5          1H4         C   5  11.835   2.116   4.673
   53   2H4     C   5          2H4         C   5  11.803   2.918   6.229
   54    H5     C   5           H5         C   5  10.789   5.093   6.566
   55    H6     C   5           H6         C   5   9.602   6.929   5.487
   56   1H2*    C   5          1H2*        C   5   7.700   7.397   4.732
   57   2H2*    C   5          2H2*        C   5   6.734   7.037   3.309
   58   1H5*    A   6          1H5*        A   6   7.911   6.860   0.003
   59   2H5*    A   6          2H5*        A   6   6.775   8.052  -0.665
   60    H4*    A   6           H4*        A   6   6.448   6.345  -2.121
   61    H3*    A   6           H3*        A   6   4.270   6.709  -0.656
   62    H1*    A   6           H1*        A   6   5.701   3.095  -0.818
   63    H8     A   6           H8         A   6   6.412   4.861   2.544
   64   1H6     A   6          1H6         A   6   9.286  -0.415   4.082
   65   2H6     A   6          2H6         A   6   8.774   1.158   4.658
   66    H2     A   6           H2         A   6   8.032  -0.703  -0.207
   67   1H2*    A   6          1H2*        A   6   4.806   5.227   1.161
   68   2H2*    A   6          2H2*        A   6   3.812   4.183   0.153
   69   1H5*    G   7          1H5*        G   7   4.355   3.661  -3.896
   70   2H5*    G   7          2H5*        G   7   2.941   3.565  -4.969
   71    H4*    G   7           H4*        G   7   3.958   1.449  -5.031
   72    H3*    G   7           H3*        G   7   1.340   1.630  -4.160
   73    H1*    G   7           H1*        G   7   4.027  -0.714  -2.653
   74    H8     G   7           H8         G   7   3.203   2.276  -0.316
   75    H1     G   7           H1         G   7   6.036  -2.779   2.452
   76   1H2     G   7          1H2         G   7   6.397  -4.356   0.953
   77   2H2     G   7          2H2         G   7   5.936  -4.169  -0.724
   78   1H2*    G   7          1H2*        G   7   1.663   1.061  -1.885
   79   2H2*    G   7          2H2*        G   7   1.645  -0.569  -2.544
   80   1H5*    G   8          1H5*        G   8   3.956  -2.040  -3.438
   81   2H5*    G   8          2H5*        G   8   3.633  -2.149  -5.181
   82    H4*    G   8           H4*        G   8   4.518  -4.195  -4.919
   83    H3*    G   8           H3*        G   8   1.894  -4.516  -5.212
   84    H1*    G   8           H1*        G   8   3.447  -5.993  -1.779
   85    H8     G   8           H8         G   8   1.579  -2.623  -2.010
   86    H1     G   8           H1         G   8   3.451  -4.350   3.881
   87   1H2     G   8          1H2         G   8   4.621  -6.222   3.782
   88   2H2     G   8          2H2         G   8   4.939  -7.043   2.271
   89   1H2*    G   8          1H2*        G   8   1.106  -4.589  -2.989
   90   2H2*    G   8          2H2*        G   8   1.581  -6.277  -3.106
   91   1H5*    G   9          1H5*        G   9   4.118  -7.097  -3.058
   92   2H5*    G   9          2H5*        G   9   4.766  -8.325  -4.166
   93    H4*    G   9           H4*        G   9   5.354  -9.343  -2.279
   94    H3*    G   9           H3*        G   9   3.221 -10.647  -3.216
   95    H1*    G   9           H1*        G   9   3.143  -9.485   0.505
   96    H8     G   9           H8         G   9   1.130  -7.189  -1.891
   97    H1     G   9           H1         G   9   0.549  -5.967   4.388
   98   1H2     G   9          1H2         G   9   1.847  -7.328   5.540
   99   2H2     G   9          2H2         G   9   2.852  -8.533   4.767
  100   1H2*    G   9          1H2*        G   9   1.498  -9.450  -2.055
  101   2H2*    G   9          2H2*        G   9   1.772 -10.781  -0.937
  102   1H5*    C  10          1H5*        C  10   4.623 -11.340   1.582
  103   2H5*    C  10          2H5*        C  10   4.694 -13.106   1.409
  104    H4*    C  10           H4*        C  10   4.163 -12.552   3.671
  105    H3*    C  10           H3*        C  10   2.701 -14.398   2.337
  106    H1*    C  10           H1*        C  10   1.055 -11.711   4.510
  107   1H4     C  10          1H4         C  10  -2.587  -7.114   2.163
  108   2H4     C  10          2H4         C  10  -2.296  -7.620   0.512
  109    H5     C  10           H5         C  10  -0.852  -9.491  -0.052
  110    H6     C  10           H6         C  10   0.631 -11.206   0.852
  111   1H2*    C  10          1H2*        C  10   0.863 -12.973   1.729
  112   2H2*    C  10          2H2*        C  10   0.286 -13.633   3.253
  113   1H5*    C  11          1H5*        C  11   2.502 -13.815   6.991
  114   2H5*    C  11          2H5*        C  11   2.508 -15.496   7.563
  115    H4*    C  11           H4*        C  11   1.742 -14.136   9.333
  116    H3*    C  11           H3*        C  11   0.231 -16.253   8.517
  117    H1*    C  11           H1*        C  11  -1.458 -12.686   9.106
  118   1H4     C  11          1H4         C  11  -4.039 -10.350   3.809
  119   2H4     C  11          2H4         C  11  -3.207 -11.521   2.810
  120    H5     C  11           H5         C  11  -1.689 -13.175   3.713
  121    H6     C  11           H6         C  11  -0.681 -14.054   5.749
  122   1H2*    C  11          1H2*        C  11  -1.563 -15.194   7.437
  123   2H2*    C  11          2H2*        C  11  -2.127 -14.912   9.078
  124   1H5*    A  12          1H5*        A  12  -1.081 -13.249  11.267
  125   2H5*    A  12          2H5*        A  12  -1.033 -13.931  12.905
  126    H4*    A  12           H4*        A  12  -2.366 -12.080  13.159
  127    H3*    A  12           H3*        A  12  -3.625 -14.418  13.657
  128    H1*    A  12           H1*        A  12  -5.324 -11.663  11.515
  129    H8     A  12           H8         A  12  -3.814 -14.492   9.310
  130   1H6     A  12          1H6         A  12  -7.410 -12.194   4.831
  131   2H6     A  12          2H6         A  12  -6.240 -13.427   5.249
  132    H2     A  12           H2         A  12  -8.028  -9.713   8.518
  133   1H2*    A  12          1H2*        A  12  -4.782 -14.665  11.581
  134   2H2*    A  12          2H2*        A  12  -5.978 -13.746  12.486
  135   1H5*    C  13          1H5*        C  13  -6.291 -10.725  12.567
  136   2H5*    C  13          2H5*        C  13  -6.149 -10.341  14.294
  137    H4*    C  13           H4*        C  13  -7.980  -9.117  13.842
  138    H3*    C  13           H3*        C  13  -8.755 -11.204  15.286
  139    H1*    C  13           H1*        C  13 -10.600 -10.701  11.799
  140   1H4     C  13          1H4         C  13  -8.792 -14.608   7.153
  141   2H4     C  13          2H4         C  13  -7.841 -15.571   8.263
  142    H5     C  13           H5         C  13  -7.571 -14.996  10.605
  143    H6     C  13           H6         C  13  -8.151 -13.385  12.340
  144   1H2*    C  13          1H2*        C  13  -9.289 -12.768  13.568
  145   2H2*    C  13          2H2*        C  13 -10.855 -11.991  13.739
  146   1H5*    A  14          1H5*        A  14 -11.532  -8.821  12.693
  147   2H5*    A  14          2H5*        A  14 -11.947  -7.751  14.048
  148    H4*    A  14           H4*        A  14 -13.497  -7.009  12.613
  149    H3*    A  14           H3*        A  14 -14.779  -8.476  14.414
  150    H1*    A  14           H1*        A  14 -15.238  -9.628  10.592
  151    H8     A  14           H8         A  14 -12.699 -11.435  12.900
  152   1H6     A  14          1H6         A  14 -12.049 -15.404   8.198
  153   2H6     A  14          2H6         A  14 -11.580 -15.030   9.843
  154    H2     A  14           H2         A  14 -14.856 -12.149   6.896
  155   1H2*    A  14          1H2*        A  14 -14.804 -10.617  13.392
  156   2H2*    A  14          2H2*        A  14 -16.259  -9.969  12.646
  157   1H5*    G  15          1H5*        G  15 -16.559  -7.715  10.755
  158   2H5*    G  15          2H5*        G  15 -18.025  -6.728  10.595
  159    H4*    G  15           H4*        G  15 -18.135  -8.050   8.737
  160    H3*    G  15           H3*        G  15 -20.063  -8.659  10.653
  161    H1*    G  15           H1*        G  15 -18.205 -11.146   8.369
  162    H8     G  15           H8         G  15 -17.034 -11.441  12.058
  163    H1     G  15           H1         G  15 -15.660 -16.420   8.244
  164   1H2     G  15          1H2         G  15 -16.463 -16.068   6.222
  165   2H2     G  15          2H2         G  15 -17.331 -14.607   5.805
  166    H3T    G  15           H3T        G  15 -20.115  -8.088   8.307
  167   1H2*    G  15          1H2*        G  15 -19.351 -10.845  11.187
  168   2H2*    G  15          2H2*        G  15 -20.201 -11.236   9.698
  169   1H5*    C  16          1H5*        C  16 -15.780 -23.690   4.467
  170   2H5*    C  16          2H5*        C  16 -14.243 -24.009   3.646
  171    H4*    C  16           H4*        C  16 -15.694 -22.457   2.428
  172    H3*    C  16           H3*        C  16 -13.033 -22.233   2.529
  173    H1*    C  16           H1*        C  16 -15.184 -19.078   3.585
  174   1H4     C  16          1H4         C  16 -15.040 -17.600   9.747
  175   2H4     C  16          2H4         C  16 -14.245 -19.104  10.153
  176    H5     C  16           H5         C  16 -13.693 -20.784   8.511
  177    H6     C  16           H6         C  16 -13.786 -21.374   6.149
  178    H5T    C  16           H5T        C  16 -14.650 -23.107   6.108
  179   1H2*    C  16          1H2*        C  16 -12.779 -20.742   4.362
  180   2H2*    C  16          2H2*        C  16 -12.948 -19.559   3.073
  181   1H5*    T  17          1H5*        T  17 -16.176 -18.825   1.898
  182   2H5*    T  17          2H5*        T  17 -15.870 -18.885   0.148
  183    H4*    T  17           H4*        T  17 -17.022 -16.882   0.513
  184    H3*    T  17           H3*        T  17 -14.685 -16.664  -0.737
  185   1H2*    T  17          1H2*        T  17 -13.256 -16.314   1.155
  186   2H2*    T  17          2H2*        T  17 -13.614 -14.649   0.716
  187    H1*    T  17           H1*        T  17 -15.242 -14.394   2.417
  188    H3     T  17           H3         T  17 -13.628 -14.670   6.562
  189   1H5M    T  17          1H5M        T  17 -12.005 -19.101   5.248
  190   2H5M    T  17          2H5M        T  17 -10.625 -17.980   5.164
  191   3H5M    T  17          3H5M        T  17 -11.357 -18.605   3.667
  192    H6     T  17           H6         T  17 -13.136 -17.412   2.693
  193   1H5*    G  18          1H5*        G  18 -16.656 -13.183   0.445
  194   2H5*    G  18          2H5*        G  18 -17.198 -11.814  -0.547
  195    H4*    G  18           H4*        G  18 -16.678 -10.756   1.393
  196    H3*    G  18           H3*        G  18 -14.760 -10.301  -0.617
  197    H1*    G  18           H1*        G  18 -14.314 -10.559   3.163
  198    H8     G  18           H8         G  18 -12.742 -13.693   1.498
  199    H1     G  18           H1         G  18 -10.590 -12.215   7.365
  200   1H2     G  18          1H2         G  18 -11.534 -10.339   8.059
  201   2H2     G  18          2H2         G  18 -12.687  -9.459   7.080
  202   1H2*    G  18          1H2*        G  18 -12.904 -11.224   0.524
  203   2H2*    G  18          2H2*        G  18 -12.949  -9.681   1.366
  204   1H5*    T  19          1H5*        T  19 -14.237  -8.783   3.890
  205   2H5*    T  19          2H5*        T  19 -15.372  -7.604   3.200
  206    H4*    T  19           H4*        T  19 -14.694  -6.344   4.915
  207    H3*    T  19           H3*        T  19 -13.477  -5.385   2.749
  208   1H2*    T  19          1H2*        T  19 -11.401  -6.518   2.795
  209   2H2*    T  19          2H2*        T  19 -10.968  -5.190   3.864
  210    H1*    T  19           H1*        T  19 -11.082  -6.489   5.781
  211    H3     T  19           H3         T  19  -8.643 -10.227   5.957
  212   1H5M    T  19          1H5M        T  19  -9.416 -11.053   1.464
  213   2H5M    T  19          2H5M        T  19 -11.129 -11.394   1.809
  214   3H5M    T  19          3H5M        T  19 -10.669  -9.876   1.003
  215    H6     T  19           H6         T  19 -11.592  -8.407   2.680
  216   1H5*    G  20          1H5*        G  20 -11.698  -5.260   6.584
  217   2H5*    G  20          2H5*        G  20 -12.331  -3.704   7.161
  218    H4*    G  20           H4*        G  20 -10.765  -3.935   8.724
  219    H3*    G  20           H3*        G  20  -9.791  -2.218   6.837
  220    H1*    G  20           H1*        G  20  -7.614  -5.129   8.323
  221    H8     G  20           H8         G  20  -8.815  -5.577   4.669
  222    H1     G  20           H1         G  20  -4.449  -9.818   6.713
  223   1H2     G  20          1H2         G  20  -3.942  -9.432   8.819
  224   2H2     G  20          2H2         G  20  -4.675  -8.132   9.734
  225   1H2*    G  20          1H2*        G  20  -8.222  -3.618   5.756
  226   2H2*    G  20          2H2*        G  20  -7.218  -3.138   7.118
  227   1H5*    G  21          1H5*        G  21  -7.358  -4.244   9.540
  228   2H5*    G  21          2H5*        G  21  -7.634  -3.193  10.944
  229    H4*    G  21           H4*        G  21  -5.988  -4.407  11.837
  230    H3*    G  21           H3*        G  21  -4.926  -2.050  11.200
  231    H1*    G  21           H1*        G  21  -3.100  -5.275   9.876
  232    H8     G  21           H8         G  21  -5.426  -3.521   7.309
  233    H1     G  21           H1         G  21  -1.681  -8.210   5.022
  234   1H2     G  21          1H2         G  21  -0.493  -9.091   6.661
  235   2H2     G  21          2H2         G  21  -0.620  -8.523   8.311
  236   1H2*    G  21          1H2*        G  21  -4.102  -2.546   9.012
  237   2H2*    G  21          2H2*        G  21  -2.684  -2.953   9.966
  238   1H5*    C  22          1H5*        C  22  -2.009  -5.602  11.027
  239   2H5*    C  22          2H5*        C  22  -1.656  -5.387  12.754
  240    H4*    C  22           H4*        C  22   0.242  -6.444  12.230
  241    H3*    C  22           H3*        C  22   0.874  -3.876  12.509
  242    H1*    C  22           H1*        C  22   1.933  -5.622   9.136
  243   1H4     C  22          1H4         C  22  -1.329  -4.163   3.915
  244   2H4     C  22          2H4         C  22  -2.327  -3.019   4.784
  245    H5     C  22           H5         C  22  -2.146  -2.665   7.174
  246    H6     C  22           H6         C  22  -0.973  -3.331   9.202
  247   1H2*    C  22          1H2*        C  22   0.610  -3.134  10.251
  248   2H2*    C  22          2H2*        C  22   2.314  -3.570  10.224
  249   1H5*    C  23          1H5*        C  23   3.820  -6.957  11.774
  250   2H5*    C  23          2H5*        C  23   5.439  -7.002  12.503
  251    H4*    C  23           H4*        C  23   5.548  -8.149  10.441
  252    H3*    C  23           H3*        C  23   7.287  -6.100  10.935
  253    H1*    C  23           H1*        C  23   5.601  -6.675   7.543
  254   1H4     C  23          1H4         C  23   1.980  -2.192   4.903
  255   2H4     C  23          2H4         C  23   1.727  -1.397   6.438
  256    H5     C  23           H5         C  23   2.662  -2.216   8.513
  257    H6     C  23           H6         C  23   4.053  -3.944   9.530
  258   1H2*    C  23          1H2*        C  23   6.243  -4.450   9.547
  259   2H2*    C  23          2H2*        C  23   7.329  -5.198   8.382
  260   1H5*    C  24          1H5*        C  24   7.288  -8.464   7.385
  261   2H5*    C  24          2H5*        C  24   8.536  -9.717   7.558
  262    H4*    C  24           H4*        C  24   8.093  -9.929   5.353
  263    H3*    C  24           H3*        C  24  10.531  -8.884   5.704
  264    H1*    C  24           H1*        C  24   8.071  -7.072   3.219
  265   1H4     C  24          1H4         C  24   5.878  -1.392   4.963
  266   2H4     C  24          2H4         C  24   6.286  -1.676   6.643
  267    H5     C  24           H5         C  24   7.369  -3.696   7.408
  268    H6     C  24           H6         C  24   8.224  -5.879   6.737
  269   1H2*    C  24          1H2*        C  24  10.038  -6.564   5.472
  270   2H2*    C  24          2H2*        C  24  10.354  -6.959   3.788
  271   1H5*    T  25          1H5*        T  25   8.626  -7.568   1.460
  272   2H5*    T  25          2H5*        T  25   9.212  -9.186   1.017
  273    H4*    T  25           H4*        T  25   9.317  -8.291  -1.032
  274    H3*    T  25           H3*        T  25  11.813  -8.429  -0.114
  275   1H2*    T  25          1H2*        T  25  12.190  -6.285   0.784
  276   2H2*    T  25          2H2*        T  25  12.521  -5.863  -0.891
  277    H1*    T  25           H1*        T  25  10.538  -4.727  -1.153
  278    H3     T  25           H3         T  25   8.800  -1.906   1.936
  279   1H5M    T  25          1H5M        T  25  10.667  -4.469   5.359
  280   2H5M    T  25          2H5M        T  25  11.652  -5.677   4.498
  281   3H5M    T  25          3H5M        T  25  12.261  -4.017   4.709
  282    H6     T  25           H6         T  25  11.481  -5.835   2.149
  283   1H5*    G  26          1H5*        G  26  10.666  -5.433  -2.285
  284   2H5*    G  26          2H5*        G  26  10.916  -5.653  -4.028
  285    H4*    G  26           H4*        G  26  10.675  -3.446  -4.093
  286    H3*    G  26           H3*        G  26  13.446  -3.966  -3.945
  287    H1*    G  26           H1*        G  26  11.385  -1.098  -2.491
  288    H8     G  26           H8         G  26  12.850  -3.277   0.375
  289    H1     G  26           H1         G  26  10.829   2.596   2.013
  290   1H2     G  26          1H2         G  26  10.065   3.654   0.230
  291   2H2     G  26          2H2         G  26  10.060   2.916  -1.357
  292   1H2*    G  26          1H2*        G  26  13.850  -2.822  -1.913
  293   2H2*    G  26          2H2*        G  26  13.738  -1.404  -2.946
  294   1H5*    A  27          1H5*        A  27  11.299  -0.330  -4.967
  295   2H5*    A  27          2H5*        A  27  11.363  -0.480  -6.734
  296    H4*    A  27           H4*        A  27  10.439   1.589  -6.512
  297    H3*    A  27           H3*        A  27  12.820   1.778  -7.639
  298    H1*    A  27           H1*        A  27  12.368   3.875  -4.262
  299    H8     A  27           H8         A  27  14.150   0.447  -4.182
  300   1H6     A  27          1H6         A  27  15.204   1.669   1.786
  301   2H6     A  27          2H6         A  27  15.496   0.552   0.469
  302    H2     A  27           H2         A  27  12.666   4.979   0.113
  303   1H2*    A  27          1H2*        A  27  14.226   2.029  -5.736
  304   2H2*    A  27          2H2*        A  27  13.870   3.725  -6.034
  305   1H5*    G  28          1H5*        G  28  11.507   4.834  -4.810
  306   2H5*    G  28          2H5*        G  28  10.811   6.000  -5.953
  307    H4*    G  28           H4*        G  28  11.089   7.376  -4.198
  308    H3*    G  28           H3*        G  28  12.981   7.912  -6.082
  309    H1*    G  28           H1*        G  28  13.784   7.764  -2.313
  310    H8     G  28           H8         G  28  15.067   4.617  -4.185
  311    H1     G  28           H1         G  28  17.320   5.469   1.767
  312   1H2     G  28          1H2         G  28  16.449   7.288   2.654
  313   2H2     G  28          2H2         G  28  15.320   8.301   1.784
  314   1H2*    G  28          1H2*        G  28  14.840   6.843  -5.030
  315   2H2*    G  28          2H2*        G  28  14.960   8.436  -4.298
  316   1H5*    C  29          1H5*        C  29  12.372  11.347  -2.728
  317   2H5*    C  29          2H5*        C  29  12.946  12.907  -3.353
  318    H4*    C  29           H4*        C  29  13.469  12.468  -0.962
  319    H3*    C  29           H3*        C  29  15.063  13.786  -2.755
  320    H1*    C  29           H1*        C  29  16.391  11.142  -0.273
  321   1H4     C  29          1H4         C  29  19.335   5.972  -2.431
  322   2H4     C  29          2H4         C  29  18.612   6.136  -4.017
  323    H5     C  29           H5         C  29  17.094   7.930  -4.592
  324    H6     C  29           H6         C  29  15.970   9.933  -3.769
  325   1H2*    C  29          1H2*        C  29  16.640  12.054  -3.179
  326   2H2*    C  29          2H2*        C  29  17.375  12.758  -1.745
  327   1H5*    C  30          1H5*        C  30  15.679  13.993   1.635
  328   2H5*    C  30          2H5*        C  30  16.028  15.572   2.369
  329    H4*    C  30           H4*        C  30  16.988  13.908   3.749
  330    H3*    C  30           H3*        C  30  18.538  15.951   2.899
  331    H1*    C  30           H1*        C  30  19.809  12.317   2.800
  332   1H4     C  30          1H4         C  30  21.210   9.487  -2.679
  333   2H4     C  30          2H4         C  30  20.241  10.617  -3.596
  334    H5     C  30           H5         C  30  19.041  12.453  -2.572
  335    H6     C  30           H6         C  30  18.501  13.554  -0.463
  336    H3T    C  30           H3T        C  30  18.432  14.512   4.938
  337   1H2*    C  30          1H2*        C  30  19.616  14.833   1.077
  338   2H2*    C  30          2H2*        C  30  20.749  14.491   2.375
  339   1H    ASP  10          1H        ASP  10  -4.228  14.466   9.412
  340    HA   ASP  10           HA       ASP  10  -6.842  14.104  10.399
  341   1HB   ASP  10          1HB       ASP  10  -5.458  16.181  10.634
  342   2HB   ASP  10          2HB       ASP  10  -5.767  16.514   8.933
  343    H    GLU  11           H        GLU  11  -5.534  14.075   7.247
  344    HA   GLU  11           HA       GLU  11  -7.886  14.661   5.774
  345   1HB   GLU  11          1HB       GLU  11  -5.487  13.035   4.928
  346   2HB   GLU  11          2HB       GLU  11  -6.673  13.758   3.860
  347   1HG   GLU  11          1HG       GLU  11  -4.811  15.275   5.658
  348   2HG   GLU  11          2HG       GLU  11  -4.605  15.021   3.927
  349    H    LEU  12           H        LEU  12  -9.345  13.266   4.794
  350    HA   LEU  12           HA       LEU  12  -9.411  10.571   5.968
  351   1HB   LEU  12          1HB       LEU  12 -11.733  12.235   4.993
  352   2HB   LEU  12          2HB       LEU  12 -11.839  10.639   5.708
  353    HG   LEU  12           HG       LEU  12 -10.882  13.129   7.124
  354   1HD1  LEU  12          1HD1      LEU  12 -12.950  12.912   8.406
  355   2HD1  LEU  12          2HD1      LEU  12 -13.437  11.555   7.389
  356   3HD1  LEU  12          3HD1      LEU  12 -13.272  13.167   6.691
  357   1HD2  LEU  12          1HD2      LEU  12  -9.769  11.119   7.945
  358   2HD2  LEU  12          2HD2      LEU  12 -11.333  10.332   8.159
  359   3HD2  LEU  12          3HD2      LEU  12 -10.913  11.740   9.133
  360    H    CYS  13           H        CYS  13  -9.999   8.832   4.709
  361    HA   CYS  13           HA       CYS  13  -9.118   8.935   1.993
  362   1HB   CYS  13          1HB       CYS  13  -8.784   6.976   3.491
  363   2HB   CYS  13          2HB       CYS  13 -10.519   6.709   3.497
  364    HG   CYS  13           HG       CYS  13  -8.830   6.696   0.543
  365    HA   PRO  14           HA       PRO  14 -13.178  10.199   0.602
  366   1HB   PRO  14          1HB       PRO  14 -12.540  10.542  -2.009
  367   2HB   PRO  14          2HB       PRO  14 -12.101  11.702  -0.750
  368   1HG   PRO  14          1HG       PRO  14 -10.432   9.600  -2.060
  369   2HG   PRO  14          2HG       PRO  14  -9.995  11.255  -1.598
  370   1HD   PRO  14          1HD       PRO  14  -9.322   9.047  -0.137
  371   2HD   PRO  14          2HD       PRO  14  -9.542  10.661   0.566
  372    H    VAL  15           H        VAL  15 -11.783   7.278   0.218
  373    HA   VAL  15           HA       VAL  15 -13.728   6.271  -1.718
  374    HB   VAL  15           HB       VAL  15 -11.549   4.758  -0.255
  375   1HG1  VAL  15          1HG1      VAL  15 -11.944   3.004  -1.913
  376   2HG1  VAL  15          2HG1      VAL  15 -13.265   3.951  -2.598
  377   3HG1  VAL  15          3HG1      VAL  15 -13.390   3.325  -0.954
  378   1HG2  VAL  15          1HG2      VAL  15 -10.332   4.804  -2.369
  379   2HG2  VAL  15          2HG2      VAL  15 -10.603   6.431  -1.742
  380   3HG2  VAL  15          3HG2      VAL  15 -11.590   5.822  -3.071
  381    H    CYS  16           H        CYS  16 -12.588   5.378   1.545
  382    HA   CYS  16           HA       CYS  16 -15.148   4.043   2.009
  383   1HB   CYS  16          1HB       CYS  16 -13.913   3.035   3.966
  384   2HB   CYS  16          2HB       CYS  16 -13.276   2.619   2.378
  385    HG   CYS  16           HG       CYS  16 -11.544   3.542   4.818
  386    H    GLY  17           H        GLY  17 -13.477   6.889   2.865
  387   1HA   GLY  17          1HA       GLY  17 -14.351   8.656   4.122
  388   2HA   GLY  17          2HA       GLY  17 -15.555   7.564   4.789
  389    H    ASP  18           H        ASP  18 -12.697   6.000   5.016
  390    HA   ASP  18           HA       ASP  18 -12.508   6.458   7.861
  391   1HB   ASP  18          1HB       ASP  18 -12.191   4.234   6.472
  392   2HB   ASP  18          2HB       ASP  18 -10.539   4.811   6.302
  393    H    LYS  19           H        LYS  19  -9.933   6.438   8.566
  394    HA   LYS  19           HA       LYS  19  -8.983   9.009   7.619
  395   1HB   LYS  19          1HB       LYS  19  -7.935   7.116   9.727
  396   2HB   LYS  19          2HB       LYS  19  -7.149   8.632   9.310
  397   1HG   LYS  19          1HG       LYS  19  -9.316   9.780   9.889
  398   2HG   LYS  19          2HG       LYS  19  -9.854   8.235  10.554
  399   1HD   LYS  19          1HD       LYS  19  -8.921   9.701  12.290
  400   2HD   LYS  19          2HD       LYS  19  -7.972   8.225  12.101
  401   1HE   LYS  19          1HE       LYS  19  -6.344   9.430  10.748
  402   2HE   LYS  19          2HE       LYS  19  -7.306  10.900  10.873
  403   1HZ   LYS  19          1HZ       LYS  19  -6.094   9.487  13.187
  404   2HZ   LYS  19          2HZ       LYS  19  -6.893  10.985  13.216
  405   3HZ   LYS  19          3HZ       LYS  19  -5.408  10.830  12.415
  406    H    VAL  20           H        VAL  20  -6.817   9.359   6.835
  407    HA   VAL  20           HA       VAL  20  -5.929   7.165   5.123
  408    HB   VAL  20           HB       VAL  20  -4.559   8.782   3.961
  409   1HG1  VAL  20          1HG1      VAL  20  -7.315   9.873   4.499
  410   2HG1  VAL  20          2HG1      VAL  20  -6.886   8.652   3.300
  411   3HG1  VAL  20          3HG1      VAL  20  -6.290  10.304   3.130
  412   1HG2  VAL  20          1HG2      VAL  20  -5.453  10.777   6.041
  413   2HG2  VAL  20          2HG2      VAL  20  -4.510  11.150   4.598
  414   3HG2  VAL  20          3HG2      VAL  20  -3.826  10.123   5.857
  415    H    SER  21           H        SER  21  -3.671   6.595   4.999
  416    HA   SER  21           HA       SER  21  -2.234   7.063   7.521
  417   1HB   SER  21          1HB       SER  21  -0.876   5.050   6.776
  418   2HB   SER  21          2HB       SER  21  -2.566   4.721   7.162
  419    HG   SER  21           HG       SER  21  -1.973   3.720   5.209
  420    H    GLY  22           H        GLY  22  -2.387   8.049   4.360
  421   1HA   GLY  22          1HA       GLY  22  -0.506   9.896   4.236
  422   2HA   GLY  22          2HA       GLY  22   0.479   8.455   4.025
  423    H    TYR  23           H        TYR  23   0.890   9.756   1.986
  424    HA   TYR  23           HA       TYR  23  -1.176   9.687  -0.021
  425   1HB   TYR  23          1HB       TYR  23   0.636  11.464   0.200
  426   2HB   TYR  23          2HB       TYR  23   1.767  10.263  -0.413
  427    HD1  TYR  23           HD1      TYR  23   1.471   9.387  -2.738
  428    HD2  TYR  23           HD2      TYR  23  -0.787  12.671  -1.260
  429    HE1  TYR  23           HE1      TYR  23   0.916  10.033  -5.041
  430    HE2  TYR  23           HE2      TYR  23  -1.350  13.326  -3.563
  431    HH   TYR  23           HH       TYR  23  -0.259  12.992  -5.893
  432    H    HIS  24           H        HIS  24  -1.698   7.839  -0.999
  433    HA   HIS  24           HA       HIS  24   0.459   5.981  -1.751
  434   1HB   HIS  24          1HB       HIS  24  -2.266   5.039  -0.840
  435   2HB   HIS  24          2HB       HIS  24  -0.848   4.058  -1.172
  436    HD1  HIS  24           HD1      HIS  24   1.282   4.962   0.586
  437    HD2  HIS  24           HD2      HIS  24  -2.687   5.172   1.794
  438    HE1  HIS  24           HE1      HIS  24   1.342   5.015   3.101
  439    HE2  HIS  24           HE2      HIS  24  -1.082   4.943   3.806
  440    H    TYR  25           H        TYR  25   0.267   5.097  -3.766
  441    HA   TYR  25           HA       TYR  25  -0.440   4.731  -5.880
  442   1HB   TYR  25          1HB       TYR  25  -3.120   5.248  -4.612
  443   2HB   TYR  25          2HB       TYR  25  -2.967   5.019  -6.350
  444    HD1  TYR  25           HD1      TYR  25  -2.887   2.877  -7.259
  445    HD2  TYR  25           HD2      TYR  25  -2.255   3.378  -3.082
  446    HE1  TYR  25           HE1      TYR  25  -2.967   0.440  -6.963
  447    HE2  TYR  25           HE2      TYR  25  -2.334   0.938  -2.773
  448    HH   TYR  25           HH       TYR  25  -2.335  -1.246  -5.473
  449    H    GLY  26           H        GLY  26  -2.750   7.315  -5.102
  450   1HA   GLY  26          1HA       GLY  26  -1.142   9.255  -6.537
  451   2HA   GLY  26          2HA       GLY  26  -2.624   8.781  -7.343
  452    H    LEU  27           H        LEU  27  -2.643   8.785  -3.913
  453    HA   LEU  27           HA       LEU  27  -3.166  11.481  -3.371
  454   1HB   LEU  27          1HB       LEU  27  -5.509  11.603  -3.109
  455   2HB   LEU  27          2HB       LEU  27  -5.249  10.931  -4.706
  456    HG   LEU  27           HG       LEU  27  -5.763   9.109  -2.380
  457   1HD1  LEU  27          1HD1      LEU  27  -7.851  10.530  -4.024
  458   2HD1  LEU  27          2HD1      LEU  27  -7.526  10.789  -2.310
  459   3HD1  LEU  27          3HD1      LEU  27  -8.152   9.236  -2.863
  460   1HD2  LEU  27          1HD2      LEU  27  -5.044   8.145  -4.520
  461   2HD2  LEU  27          2HD2      LEU  27  -6.404   8.932  -5.324
  462   3HD2  LEU  27          3HD2      LEU  27  -6.697   7.680  -4.117
  463    H    LEU  28           H        LEU  28  -4.649  11.450  -1.141
  464    HA   LEU  28           HA       LEU  28  -3.104   9.709   0.571
  465   1HB   LEU  28          1HB       LEU  28  -5.134  11.853   1.156
  466   2HB   LEU  28          2HB       LEU  28  -4.447  10.842   2.413
  467    HG   LEU  28           HG       LEU  28  -2.160  11.658   1.539
  468   1HD1  LEU  28          1HD1      LEU  28  -3.944  13.788   0.378
  469   2HD1  LEU  28          2HD1      LEU  28  -2.930  12.663  -0.526
  470   3HD1  LEU  28          3HD1      LEU  28  -2.188  13.876   0.517
  471   1HD2  LEU  28          1HD2      LEU  28  -3.071  12.266   3.699
  472   2HD2  LEU  28          2HD2      LEU  28  -4.035  13.541   2.955
  473   3HD2  LEU  28          3HD2      LEU  28  -2.274  13.650   2.951
  474    H    THR  29           H        THR  29  -3.677   7.780   1.154
  475    HA   THR  29           HA       THR  29  -6.504   7.025   1.274
  476    HB   THR  29           HB       THR  29  -5.689   4.796   0.169
  477    HG1  THR  29           HG1      THR  29  -4.032   6.457  -1.350
  478   1HG2  THR  29          1HG2      THR  29  -6.342   5.643  -2.038
  479   2HG2  THR  29          2HG2      THR  29  -6.156   7.299  -1.458
  480   3HG2  THR  29          3HG2      THR  29  -7.407   6.259  -0.775
  481    H    CYS  30           H        CYS  30  -6.294   4.407   1.841
  482    HA   CYS  30           HA       CYS  30  -4.498   4.233   4.155
  483   1HB   CYS  30          1HB       CYS  30  -6.400   3.073   5.351
  484   2HB   CYS  30          2HB       CYS  30  -6.628   4.798   5.083
  485    HG   CYS  30           HG       CYS  30  -9.041   4.328   4.307
  486    H    GLU  31           H        GLU  31  -3.979   2.067   4.801
  487    HA   GLU  31           HA       GLU  31  -3.403   0.293   2.749
  488   1HB   GLU  31          1HB       GLU  31  -3.408   0.147   5.713
  489   2HB   GLU  31          2HB       GLU  31  -3.345  -1.377   4.842
  490   1HG   GLU  31          1HG       GLU  31  -1.128  -0.473   5.489
  491   2HG   GLU  31          2HG       GLU  31  -1.313  -0.769   3.762
  492    H    SER  32           H        SER  32  -6.349   0.654   4.539
  493    HA   SER  32           HA       SER  32  -7.484  -1.875   4.122
  494   1HB   SER  32          1HB       SER  32  -8.435  -0.144   5.638
  495   2HB   SER  32          2HB       SER  32  -8.923   0.791   4.224
  496    HG   SER  32           HG       SER  32 -10.010  -1.522   5.298
  497    H    CYS  33           H        CYS  33  -7.943   1.121   2.213
  498    HA   CYS  33           HA       CYS  33  -9.257  -0.247   0.078
  499   1HB   CYS  33          1HB       CYS  33  -7.979   2.497   0.093
  500   2HB   CYS  33          2HB       CYS  33  -9.111   1.893  -1.115
  501    HG   CYS  33           HG       CYS  33  -9.928   3.720   1.257
  502    H    LYS  34           H        LYS  34  -5.997   0.968   0.629
  503    HA   LYS  34           HA       LYS  34  -4.661   0.394  -1.687
  504   1HB   LYS  34          1HB       LYS  34  -3.689   1.346   0.362
  505   2HB   LYS  34          2HB       LYS  34  -3.810  -0.214   1.151
  506   1HG   LYS  34          1HG       LYS  34  -2.224  -1.074  -0.636
  507   2HG   LYS  34          2HG       LYS  34  -1.949   0.626  -1.047
  508   1HD   LYS  34          1HD       LYS  34  -1.464   1.008   1.401
  509   2HD   LYS  34          2HD       LYS  34  -1.464  -0.742   1.592
  510   1HE   LYS  34          1HE       LYS  34   0.366  -0.888  -0.054
  511   2HE   LYS  34          2HE       LYS  34   0.384   0.872  -0.160
  512   1HZ   LYS  34          1HZ       LYS  34   0.732   0.814   2.349
  513   2HZ   LYS  34          2HZ       LYS  34   2.048   0.351   1.378
  514   3HZ   LYS  34          3HZ       LYS  34   1.113  -0.829   2.151
  515    H    GLY  35           H        GLY  35  -5.192  -1.916   0.978
  516   1HA   GLY  35          1HA       GLY  35  -4.122  -4.143  -0.435
  517   2HA   GLY  35          2HA       GLY  35  -5.034  -4.204   1.065
  518    H    PHE  36           H        PHE  36  -7.444  -3.057   0.214
  519    HA   PHE  36           HA       PHE  36  -8.753  -5.280  -0.896
  520   1HB   PHE  36          1HB       PHE  36  -9.972  -3.692   0.467
  521   2HB   PHE  36          2HB       PHE  36  -9.635  -2.393  -0.672
  522    HD1  PHE  36           HD1      PHE  36 -11.451  -5.598  -0.281
  523    HD2  PHE  36           HD2      PHE  36 -11.067  -1.973  -2.476
  524    HE1  PHE  36           HE1      PHE  36 -13.554  -6.093  -1.460
  525    HE2  PHE  36           HE2      PHE  36 -13.167  -2.462  -3.660
  526    HZ   PHE  36           HZ       PHE  36 -14.414  -4.523  -3.152
  527    H    PHE  37           H        PHE  37  -7.703  -2.230  -2.343
  528    HA   PHE  37           HA       PHE  37  -8.756  -2.592  -4.895
  529   1HB   PHE  37          1HB       PHE  37  -7.722  -0.493  -3.960
  530   2HB   PHE  37          2HB       PHE  37  -6.144  -1.219  -4.237
  531    HD1  PHE  37           HD1      PHE  37  -5.135  -0.060  -5.944
  532    HD2  PHE  37           HD2      PHE  37  -9.227  -1.158  -6.323
  533    HE1  PHE  37           HE1      PHE  37  -5.153   0.812  -8.244
  534    HE2  PHE  37           HE2      PHE  37  -9.251  -0.294  -8.621
  535    HZ   PHE  37           HZ       PHE  37  -7.213   0.696  -9.586
  536    H    LYS  38           H        LYS  38  -5.508  -3.438  -3.647
  537    HA   LYS  38           HA       LYS  38  -4.662  -4.700  -6.024
  538   1HB   LYS  38          1HB       LYS  38  -3.740  -4.744  -3.202
  539   2HB   LYS  38          2HB       LYS  38  -3.183  -6.035  -4.259
  540   1HG   LYS  38          1HG       LYS  38  -2.329  -4.350  -5.832
  541   2HG   LYS  38          2HG       LYS  38  -2.836  -3.079  -4.716
  542   1HD   LYS  38          1HD       LYS  38  -0.869  -5.273  -4.064
  543   2HD   LYS  38          2HD       LYS  38  -0.431  -3.628  -4.528
  544   1HE   LYS  38          1HE       LYS  38  -2.041  -4.433  -2.109
  545   2HE   LYS  38          2HE       LYS  38  -0.361  -3.892  -2.110
  546   1HZ   LYS  38          1HZ       LYS  38  -1.802  -2.083  -1.513
  547   2HZ   LYS  38          2HZ       LYS  38  -2.732  -2.288  -2.909
  548   3HZ   LYS  38          3HZ       LYS  38  -1.127  -1.760  -3.032
  549    H    ARG  39           H        ARG  39  -6.254  -6.030  -3.142
  550    HA   ARG  39           HA       ARG  39  -6.155  -8.720  -3.991
  551   1HB   ARG  39          1HB       ARG  39  -7.773  -7.235  -1.961
  552   2HB   ARG  39          2HB       ARG  39  -8.179  -8.903  -2.350
  553   1HG   ARG  39          1HG       ARG  39  -5.929  -9.604  -1.759
  554   2HG   ARG  39          2HG       ARG  39  -5.490  -7.934  -1.409
  555   1HD   ARG  39          1HD       ARG  39  -7.805  -9.201  -0.008
  556   2HD   ARG  39          2HD       ARG  39  -6.161  -9.543   0.524
  557    HE   ARG  39           HE       ARG  39  -7.468  -6.909   0.561
  558   1HH1  ARG  39          1HH1      ARG  39  -4.833  -9.021   1.464
  559   2HH1  ARG  39          2HH1      ARG  39  -4.247  -7.967   2.717
  560   1HH2  ARG  39          1HH2      ARG  39  -6.677  -5.498   2.213
  561   2HH2  ARG  39          2HH2      ARG  39  -5.291  -5.968   3.137
  562    H    THR  40           H        THR  40  -8.153  -6.123  -5.003
  563    HA   THR  40           HA       THR  40 -10.173  -7.861  -6.130
  564    HB   THR  40           HB       THR  40  -9.745  -4.894  -6.552
  565    HG1  THR  40           HG1      THR  40 -10.220  -5.268  -4.396
  566   1HG2  THR  40          1HG2      THR  40 -12.092  -4.895  -7.276
  567   2HG2  THR  40          2HG2      THR  40 -12.148  -6.647  -7.095
  568   3HG2  THR  40          3HG2      THR  40 -11.102  -5.920  -8.315
  569    H    VAL  41           H        VAL  41  -7.565  -5.764  -7.361
  570    HA   VAL  41           HA       VAL  41  -8.010  -6.462 -10.078
  571    HB   VAL  41           HB       VAL  41  -5.755  -5.428 -10.476
  572   1HG1  VAL  41          1HG1      VAL  41  -7.779  -3.819  -8.926
  573   2HG1  VAL  41          2HG1      VAL  41  -7.803  -4.133 -10.662
  574   3HG1  VAL  41          3HG1      VAL  41  -6.517  -3.151  -9.961
  575   1HG2  VAL  41          1HG2      VAL  41  -5.919  -4.831  -7.535
  576   2HG2  VAL  41          2HG2      VAL  41  -4.713  -4.208  -8.660
  577   3HG2  VAL  41          3HG2      VAL  41  -4.777  -5.933  -8.297
  578    H    GLN  42           H        GLN  42  -5.745  -7.641  -7.633
  579    HA   GLN  42           HA       GLN  42  -4.115  -9.234  -9.225
  580   1HB   GLN  42          1HB       GLN  42  -4.997  -9.501  -6.367
  581   2HB   GLN  42          2HB       GLN  42  -3.945 -10.696  -7.108
  582   1HG   GLN  42          1HG       GLN  42  -2.280  -8.991  -7.552
  583   2HG   GLN  42          2HG       GLN  42  -3.346  -7.756  -6.877
  584   1HE2  GLN  42          1HE2      GLN  42  -0.656  -8.674  -6.075
  585   2HE2  GLN  42          2HE2      GLN  42  -0.796  -9.109  -4.411
  586    H    ASN  43           H        ASN  43  -7.280  -9.957  -7.842
  587    HA   ASN  43           HA       ASN  43  -7.124 -12.696  -8.828
  588   1HB   ASN  43          1HB       ASN  43  -9.210 -11.285  -7.154
  589   2HB   ASN  43          2HB       ASN  43  -9.316 -12.969  -7.654
  590   1HD2  ASN  43          1HD2      ASN  43  -9.171 -11.748  -4.994
  591   2HD2  ASN  43          2HD2      ASN  43  -7.817 -12.485  -4.207
  592    H    ASN  44           H        ASN  44  -7.775  -9.867 -10.201
  593    HA   ASN  44           HA       ASN  44  -8.862  -9.188 -12.081
  594   1HB   ASN  44          1HB       ASN  44  -9.245 -12.167 -12.463
  595   2HB   ASN  44          2HB       ASN  44  -9.602 -10.955 -13.685
  596   1HD2  ASN  44          1HD2      ASN  44  -7.111 -12.568 -11.899
  597   2HD2  ASN  44          2HD2      ASN  44  -5.790 -12.106 -12.921
  598    H    LYS  45           H        LYS  45 -10.249  -9.257  -9.643
  599    HA   LYS  45           HA       LYS  45 -12.798 -10.508  -9.907
  600   1HB   LYS  45          1HB       LYS  45 -11.834  -8.397  -7.977
  601   2HB   LYS  45          2HB       LYS  45 -13.321  -9.311  -7.825
  602   1HG   LYS  45          1HG       LYS  45 -12.046 -11.377  -7.616
  603   2HG   LYS  45          2HG       LYS  45 -10.547 -10.461  -7.773
  604   1HD   LYS  45          1HD       LYS  45 -11.001 -10.940  -5.435
  605   2HD   LYS  45          2HD       LYS  45 -11.122  -9.206  -5.737
  606   1HE   LYS  45          1HE       LYS  45 -13.547  -9.383  -5.845
  607   2HE   LYS  45          2HE       LYS  45 -13.443 -11.123  -5.585
  608   1HZ   LYS  45          1HZ       LYS  45 -12.588  -9.026  -3.669
  609   2HZ   LYS  45          2HZ       LYS  45 -12.463 -10.696  -3.417
  610   3HZ   LYS  45          3HZ       LYS  45 -13.991  -9.969  -3.547
  611    H    HIS  46           H        HIS  46 -14.415  -9.805 -11.096
  612    HA   HIS  46           HA       HIS  46 -14.795  -6.894 -11.354
  613   1HB   HIS  46          1HB       HIS  46 -15.468  -9.064 -13.353
  614   2HB   HIS  46          2HB       HIS  46 -15.952  -7.378 -13.511
  615    HD1  HIS  46           HD1      HIS  46 -13.797  -9.335 -15.167
  616    HD2  HIS  46           HD2      HIS  46 -13.109  -5.931 -12.881
  617    HE1  HIS  46           HE1      HIS  46 -11.618  -8.389 -15.998
  618    HE2  HIS  46           HE2      HIS  46 -11.332  -6.218 -14.745
  619    H    TYR  47           H        TYR  47 -17.011  -6.178 -11.376
  620    HA   TYR  47           HA       TYR  47 -18.914  -8.084 -10.238
  621   1HB   TYR  47          1HB       TYR  47 -17.998  -5.530  -8.927
  622   2HB   TYR  47          2HB       TYR  47 -19.522  -6.304  -8.517
  623    HD1  TYR  47           HD1      TYR  47 -15.899  -6.421  -8.165
  624    HD2  TYR  47           HD2      TYR  47 -19.541  -8.474  -7.386
  625    HE1  TYR  47           HE1      TYR  47 -14.743  -7.843  -6.525
  626    HE2  TYR  47           HE2      TYR  47 -18.396  -9.899  -5.748
  627    HH   TYR  47           HH       TYR  47 -16.059 -10.685  -5.324
  628    H    THR  48           H        THR  48 -21.077  -7.019  -9.925
  629    HA   THR  48           HA       THR  48 -21.617  -4.814 -11.753
  630    HB   THR  48           HB       THR  48 -23.086  -7.456 -11.962
  631    HG1  THR  48           HG1      THR  48 -21.212  -6.176 -13.702
  632   1HG2  THR  48          1HG2      THR  48 -24.213  -6.412 -13.879
  633   2HG2  THR  48          2HG2      THR  48 -23.362  -4.902 -13.554
  634   3HG2  THR  48          3HG2      THR  48 -24.528  -5.525 -12.388
  635    H    CYS  49           H        CYS  49 -22.238  -3.539 -10.050
  636    HA   CYS  49           HA       CYS  49 -23.955  -4.471  -7.972
  637   1HB   CYS  49          1HB       CYS  49 -22.303  -2.622  -7.687
  638   2HB   CYS  49          2HB       CYS  49 -23.308  -1.614  -8.724
  639    HG   CYS  49           HG       CYS  49 -25.471  -2.468  -6.662
  640    H    THR  50           H        THR  50 -24.452  -3.376 -11.130
  641    HA   THR  50           HA       THR  50 -26.324  -3.337 -12.405
  642    HB   THR  50           HB       THR  50 -27.941  -3.835  -9.897
  643    HG1  THR  50           HG1      THR  50 -26.516  -5.528 -10.033
  644   1HG2  THR  50          1HG2      THR  50 -29.548  -4.841 -11.457
  645   2HG2  THR  50          2HG2      THR  50 -28.500  -4.419 -12.811
  646   3HG2  THR  50          3HG2      THR  50 -29.254  -3.148 -11.849
  647    H    GLU  51           H        GLU  51 -27.680  -1.787 -13.150
  648    HA   GLU  51           HA       GLU  51 -28.875   0.120 -13.331
  649   1HB   GLU  51          1HB       GLU  51 -28.801   0.201 -10.312
  650   2HB   GLU  51          2HB       GLU  51 -29.801   1.223 -11.337
  651   1HG   GLU  51          1HG       GLU  51 -30.926  -0.790 -12.198
  652   2HG   GLU  51          2HG       GLU  51 -29.966  -1.771 -11.094
  653    H    SER  52           H        SER  52 -27.189   1.186 -10.411
  654    HA   SER  52           HA       SER  52 -26.107   3.403 -11.967
  655   1HB   SER  52          1HB       SER  52 -25.530   4.305  -9.668
  656   2HB   SER  52          2HB       SER  52 -27.252   4.083  -9.982
  657    HG   SER  52           HG       SER  52 -26.981   3.139  -8.052
  658    H    GLN  53           H        GLN  53 -25.095   0.652 -10.058
  659    HA   GLN  53           HA       GLN  53 -23.130  -0.466  -9.877
  660   1HB   GLN  53          1HB       GLN  53 -22.379   1.224 -12.263
  661   2HB   GLN  53          2HB       GLN  53 -21.393  -0.087 -11.632
  662   1HG   GLN  53          1HG       GLN  53 -23.082  -1.696 -12.151
  663   2HG   GLN  53          2HG       GLN  53 -24.219  -0.422 -12.596
  664   1HE2  GLN  53          1HE2      GLN  53 -21.380  -2.192 -13.554
  665   2HE2  GLN  53          2HE2      GLN  53 -21.376  -1.677 -15.206
  666    H    SER  54           H        SER  54 -23.550   2.503  -8.917
  667    HA   SER  54           HA       SER  54 -21.021   2.598  -7.531
  668   1HB   SER  54          1HB       SER  54 -20.817   5.102  -8.123
  669   2HB   SER  54          2HB       SER  54 -20.311   3.927  -9.336
  670    HG   SER  54           HG       SER  54 -22.407   4.185 -10.297
  671    H    CYS  55           H        CYS  55 -22.329   2.127  -5.766
  672    HA   CYS  55           HA       CYS  55 -24.401   3.993  -4.984
  673   1HB   CYS  55          1HB       CYS  55 -23.315   1.571  -3.534
  674   2HB   CYS  55          2HB       CYS  55 -24.777   2.461  -3.119
  675    HG   CYS  55           HG       CYS  55 -24.706  -0.174  -4.808
  676    H    LYS  56           H        LYS  56 -24.341   4.482  -2.486
  677    HA   LYS  56           HA       LYS  56 -22.173   6.288  -2.110
  678   1HB   LYS  56          1HB       LYS  56 -24.314   5.392  -0.170
  679   2HB   LYS  56          2HB       LYS  56 -23.251   6.776   0.046
  680   1HG   LYS  56          1HG       LYS  56 -24.236   7.882  -1.858
  681   2HG   LYS  56          2HG       LYS  56 -25.241   6.468  -2.190
  682   1HD   LYS  56          1HD       LYS  56 -26.369   6.749  -0.054
  683   2HD   LYS  56          2HD       LYS  56 -25.337   8.129   0.325
  684   1HE   LYS  56          1HE       LYS  56 -27.536   8.842  -0.469
  685   2HE   LYS  56          2HE       LYS  56 -26.253   9.355  -1.564
  686   1HZ   LYS  56          1HZ       LYS  56 -26.854   7.750  -3.132
  687   2HZ   LYS  56          2HZ       LYS  56 -28.332   8.376  -2.590
  688   3HZ   LYS  56          3HZ       LYS  56 -27.795   6.871  -2.028
  689    H    ILE  57           H        ILE  57 -20.208   5.342  -1.809
  690    HA   ILE  57           HA       ILE  57 -19.871   3.061  -0.110
  691    HB   ILE  57           HB       ILE  57 -17.711   4.925  -1.111
  692   1HG1  ILE  57          1HG1      ILE  57 -19.033   4.047  -2.985
  693   2HG1  ILE  57          2HG1      ILE  57 -17.427   3.324  -2.958
  694   1HG2  ILE  57          1HG2      ILE  57 -16.254   2.970  -0.799
  695   2HG2  ILE  57          2HG2      ILE  57 -17.622   2.060  -0.158
  696   3HG2  ILE  57          3HG2      ILE  57 -17.012   3.466   0.714
  697   1HD1  ILE  57          1HD1      ILE  57 -18.364   1.317  -1.913
  698   2HD1  ILE  57          2HD1      ILE  57 -19.118   1.666  -3.468
  699   3HD1  ILE  57          3HD1      ILE  57 -19.968   2.046  -1.971
  700    H    ASP  58           H        ASP  58 -20.568   3.490   1.888
  701    HA   ASP  58           HA       ASP  58 -19.100   5.526   3.414
  702   1HB   ASP  58          1HB       ASP  58 -21.585   6.056   2.800
  703   2HB   ASP  58          2HB       ASP  58 -21.971   4.849   4.021
  704    H    LYS  59           H        LYS  59 -20.035   4.955   5.904
  705    HA   LYS  59           HA       LYS  59 -18.446   2.794   6.655
  706   1HB   LYS  59          1HB       LYS  59 -20.732   4.085   8.152
  707   2HB   LYS  59          2HB       LYS  59 -19.503   3.054   8.872
  708   1HG   LYS  59          1HG       LYS  59 -17.789   4.650   8.405
  709   2HG   LYS  59          2HG       LYS  59 -18.895   5.633   7.448
  710   1HD   LYS  59          1HD       LYS  59 -19.261   5.066  10.386
  711   2HD   LYS  59          2HD       LYS  59 -18.445   6.498   9.755
  712   1HE   LYS  59          1HE       LYS  59 -21.296   5.706   9.155
  713   2HE   LYS  59          2HE       LYS  59 -20.808   6.922  10.334
  714   1HZ   LYS  59          1HZ       LYS  59 -20.471   7.021   7.385
  715   2HZ   LYS  59          2HZ       LYS  59 -19.699   8.100   8.440
  716   3HZ   LYS  59          3HZ       LYS  59 -21.391   8.061   8.359
  717    H    THR  60           H        THR  60 -21.858   2.913   5.863
  718    HA   THR  60           HA       THR  60 -22.317   0.237   6.869
  719    HB   THR  60           HB       THR  60 -24.662   0.655   5.996
  720    HG1  THR  60           HG1      THR  60 -24.986   2.413   4.870
  721   1HG2  THR  60          1HG2      THR  60 -23.519   2.604   8.002
  722   2HG2  THR  60          2HG2      THR  60 -24.062   0.962   8.347
  723   3HG2  THR  60          3HG2      THR  60 -25.224   2.184   7.831
  724    H    GLN  61           H        GLN  61 -21.578   1.714   3.806
  725    HA   GLN  61           HA       GLN  61 -22.591  -0.684   2.421
  726   1HB   GLN  61          1HB       GLN  61 -22.284   2.095   1.281
  727   2HB   GLN  61          2HB       GLN  61 -22.959   0.699   0.453
  728   1HG   GLN  61          1HG       GLN  61 -24.780   0.624   2.092
  729   2HG   GLN  61          2HG       GLN  61 -24.109   2.045   2.885
  730   1HE2  GLN  61          1HE2      GLN  61 -25.965   3.229   2.551
  731   2HE2  GLN  61          2HE2      GLN  61 -26.409   3.844   0.995
  732    H    ARG  62           H        ARG  62 -19.764   0.622   3.392
  733    HA   ARG  62           HA       ARG  62 -18.206   0.614   1.030
  734   1HB   ARG  62          1HB       ARG  62 -16.248   0.609   2.555
  735   2HB   ARG  62          2HB       ARG  62 -17.432   1.847   2.944
  736   1HG   ARG  62          1HG       ARG  62 -18.329   0.272   4.695
  737   2HG   ARG  62          2HG       ARG  62 -16.910  -0.730   4.396
  738   1HD   ARG  62          1HD       ARG  62 -15.446   1.065   5.053
  739   2HD   ARG  62          2HD       ARG  62 -16.808   2.176   5.196
  740    HE   ARG  62           HE       ARG  62 -17.175  -0.085   6.870
  741   1HH1  ARG  62          1HH1      ARG  62 -15.372   2.919   6.666
  742   2HH1  ARG  62          2HH1      ARG  62 -15.187   3.066   8.388
  743   1HH2  ARG  62          1HH2      ARG  62 -16.937   0.112   9.114
  744   2HH2  ARG  62          2HH2      ARG  62 -16.072   1.462   9.780
  745    H    LYS  63           H        LYS  63 -19.047  -1.922   3.316
  746    HA   LYS  63           HA       LYS  63 -17.341  -3.807   1.869
  747   1HB   LYS  63          1HB       LYS  63 -19.075  -4.186   4.313
  748   2HB   LYS  63          2HB       LYS  63 -18.106  -5.450   3.575
  749   1HG   LYS  63          1HG       LYS  63 -16.101  -3.946   3.982
  750   2HG   LYS  63          2HG       LYS  63 -17.171  -2.988   5.009
  751   1HD   LYS  63          1HD       LYS  63 -17.640  -4.934   6.383
  752   2HD   LYS  63          2HD       LYS  63 -16.648  -5.943   5.331
  753   1HE   LYS  63          1HE       LYS  63 -15.332  -5.436   7.232
  754   2HE   LYS  63          2HE       LYS  63 -14.709  -4.454   5.909
  755   1HZ   LYS  63          1HZ       LYS  63 -16.590  -3.491   7.997
  756   2HZ   LYS  63          2HZ       LYS  63 -15.868  -2.552   6.784
  757   3HZ   LYS  63          3HZ       LYS  63 -14.914  -3.229   8.006
  758    H    ARG  64           H        ARG  64 -20.462  -2.609   1.660
  759    HA   ARG  64           HA       ARG  64 -21.742  -5.114   0.973
  760   1HB   ARG  64          1HB       ARG  64 -22.774  -2.278   0.943
  761   2HB   ARG  64          2HB       ARG  64 -23.741  -3.685   0.525
  762   1HG   ARG  64          1HG       ARG  64 -23.304  -4.581   2.804
  763   2HG   ARG  64          2HG       ARG  64 -22.510  -3.052   3.194
  764   1HD   ARG  64          1HD       ARG  64 -24.592  -1.862   2.631
  765   2HD   ARG  64          2HD       ARG  64 -25.375  -3.411   2.328
  766    HE   ARG  64           HE       ARG  64 -24.195  -3.051   4.963
  767   1HH1  ARG  64          1HH1      ARG  64 -27.075  -2.962   2.965
  768   2HH1  ARG  64          2HH1      ARG  64 -28.168  -3.055   4.320
  769   1HH2  ARG  64          1HH2      ARG  64 -25.616  -3.129   6.737
  770   2HH2  ARG  64          2HH2      ARG  64 -27.334  -3.126   6.475
  771    H    CYS  65           H        CYS  65 -20.548  -2.254  -0.694
  772    HA   CYS  65           HA       CYS  65 -21.248  -3.558  -3.238
  773   1HB   CYS  65          1HB       CYS  65 -20.952  -0.632  -2.569
  774   2HB   CYS  65          2HB       CYS  65 -21.060  -1.238  -4.217
  775    HG   CYS  65           HG       CYS  65 -23.568  -2.561  -2.703
  776    HA   PRO  66           HA       PRO  66 -16.692  -3.865  -3.173
  777   1HB   PRO  66          1HB       PRO  66 -17.242  -5.915  -5.213
  778   2HB   PRO  66          2HB       PRO  66 -16.335  -6.050  -3.704
  779   1HG   PRO  66          1HG       PRO  66 -18.746  -7.193  -4.005
  780   2HG   PRO  66          2HG       PRO  66 -18.220  -6.513  -2.454
  781   1HD   PRO  66          1HD       PRO  66 -20.066  -5.350  -4.506
  782   2HD   PRO  66          2HD       PRO  66 -20.200  -5.337  -2.734
  783    H    PHE  67           H        PHE  67 -18.793  -4.066  -6.047
  784    HA   PHE  67           HA       PHE  67 -16.846  -3.189  -7.890
  785   1HB   PHE  67          1HB       PHE  67 -19.008  -4.345  -8.466
  786   2HB   PHE  67          2HB       PHE  67 -19.829  -2.818  -8.160
  787    HD1  PHE  67           HD1      PHE  67 -16.819  -3.975 -10.034
  788    HD2  PHE  67           HD2      PHE  67 -20.352  -1.602 -10.034
  789    HE1  PHE  67           HE1      PHE  67 -16.341  -3.275 -12.341
  790    HE2  PHE  67           HE2      PHE  67 -19.878  -0.900 -12.346
  791    HZ   PHE  67           HZ       PHE  67 -17.873  -1.735 -13.499
  792    H    CYS  68           H        CYS  68 -19.405  -1.475  -6.156
  793    HA   CYS  68           HA       CYS  68 -18.995   1.051  -7.283
  794   1HB   CYS  68          1HB       CYS  68 -19.984   0.434  -4.494
  795   2HB   CYS  68          2HB       CYS  68 -20.266   1.915  -5.402
  796    HG   CYS  68           HG       CYS  68 -22.366  -0.342  -5.138
  797    H    ARG  69           H        ARG  69 -17.457  -0.571  -4.555
  798    HA   ARG  69           HA       ARG  69 -16.009   1.748  -3.711
  799   1HB   ARG  69          1HB       ARG  69 -16.549  -0.125  -2.179
  800   2HB   ARG  69          2HB       ARG  69 -15.453  -1.158  -3.092
  801   1HG   ARG  69          1HG       ARG  69 -13.587   0.301  -2.511
  802   2HG   ARG  69          2HG       ARG  69 -14.683   1.345  -1.604
  803   1HD   ARG  69          1HD       ARG  69 -15.206  -0.504  -0.103
  804   2HD   ARG  69          2HD       ARG  69 -14.133  -1.560  -1.020
  805    HE   ARG  69           HE       ARG  69 -12.883   0.829   0.011
  806   1HH1  ARG  69          1HH1      ARG  69 -13.692  -2.508   0.598
  807   2HH1  ARG  69          2HH1      ARG  69 -12.430  -2.753   1.767
  808   1HH2  ARG  69          1HH2      ARG  69 -11.219   0.538   1.565
  809   2HH2  ARG  69          2HH2      ARG  69 -11.028  -1.010   2.329
  810    H    PHE  70           H        PHE  70 -15.311  -1.050  -5.748
  811    HA   PHE  70           HA       PHE  70 -12.616  -0.551  -6.288
  812   1HB   PHE  70          1HB       PHE  70 -13.711  -2.604  -6.997
  813   2HB   PHE  70          2HB       PHE  70 -14.786  -1.706  -8.061
  814    HD1  PHE  70           HD1      PHE  70 -11.220  -2.571  -7.512
  815    HD2  PHE  70           HD2      PHE  70 -14.198  -1.303 -10.274
  816    HE1  PHE  70           HE1      PHE  70  -9.629  -2.877  -9.363
  817    HE2  PHE  70           HE2      PHE  70 -12.612  -1.606 -12.130
  818    HZ   PHE  70           HZ       PHE  70 -10.324  -2.395 -11.676
  819    H    GLN  71           H        GLN  71 -15.492   0.475  -8.120
  820    HA   GLN  71           HA       GLN  71 -14.192   2.188  -9.905
  821   1HB   GLN  71          1HB       GLN  71 -17.001   2.343  -8.792
  822   2HB   GLN  71          2HB       GLN  71 -16.419   3.286 -10.157
  823   1HG   GLN  71          1HG       GLN  71 -16.537   0.278 -10.047
  824   2HG   GLN  71          2HG       GLN  71 -17.718   1.318 -10.842
  825   1HE2  GLN  71          1HE2      GLN  71 -15.696   3.178 -11.810
  826   2HE2  GLN  71          2HE2      GLN  71 -14.880   2.383 -13.114
  827    H    LYS  72           H        LYS  72 -15.315   2.687  -6.621
  828    HA   LYS  72           HA       LYS  72 -14.990   5.490  -6.522
  829   1HB   LYS  72          1HB       LYS  72 -16.269   4.132  -4.863
  830   2HB   LYS  72          2HB       LYS  72 -14.743   3.522  -4.241
  831   1HG   LYS  72          1HG       LYS  72 -15.084   5.195  -2.759
  832   2HG   LYS  72          2HG       LYS  72 -14.228   6.105  -4.001
  833   1HD   LYS  72          1HD       LYS  72 -17.230   5.953  -3.710
  834   2HD   LYS  72          2HD       LYS  72 -16.223   7.279  -3.145
  835   1HE   LYS  72          1HE       LYS  72 -16.942   8.115  -5.146
  836   2HE   LYS  72          2HE       LYS  72 -15.435   7.349  -5.639
  837   1HZ   LYS  72          1HZ       LYS  72 -16.679   5.444  -6.410
  838   2HZ   LYS  72          2HZ       LYS  72 -17.277   6.842  -7.151
  839   3HZ   LYS  72          3HZ       LYS  72 -18.134   6.122  -5.877
  840    H    CYS  73           H        CYS  73 -12.778   2.802  -5.892
  841    HA   CYS  73           HA       CYS  73 -10.606   4.283  -4.919
  842   1HB   CYS  73          1HB       CYS  73 -10.566   1.766  -6.606
  843   2HB   CYS  73          2HB       CYS  73  -9.212   2.391  -5.670
  844    HG   CYS  73           HG       CYS  73 -12.174   1.295  -4.347
  845    H    LEU  74           H        LEU  74 -11.358   3.242  -8.269
  846    HA   LEU  74           HA       LEU  74  -9.325   4.700  -9.533
  847   1HB   LEU  74          1HB       LEU  74 -12.016   3.747 -10.463
  848   2HB   LEU  74          2HB       LEU  74 -10.975   4.676 -11.513
  849    HG   LEU  74           HG       LEU  74  -9.206   2.894 -11.100
  850   1HD1  LEU  74          1HD1      LEU  74 -10.156   1.834  -9.176
  851   2HD1  LEU  74          2HD1      LEU  74 -10.101   0.680 -10.510
  852   3HD1  LEU  74          3HD1      LEU  74 -11.625   1.451 -10.069
  853   1HD2  LEU  74          1HD2      LEU  74 -10.163   1.422 -12.802
  854   2HD2  LEU  74          2HD2      LEU  74 -10.414   3.123 -13.199
  855   3HD2  LEU  74          3HD2      LEU  74 -11.742   2.163 -12.547
  856    H    THR  75           H        THR  75 -12.580   5.620  -8.581
  857    HA   THR  75           HA       THR  75 -12.880   8.088  -9.766
  858    HB   THR  75           HB       THR  75 -13.723   7.192  -7.006
  859    HG1  THR  75           HG1      THR  75 -14.532   6.184  -9.094
  860   1HG2  THR  75          1HG2      THR  75 -15.331   9.005  -7.003
  861   2HG2  THR  75          2HG2      THR  75 -14.739   9.567  -8.568
  862   3HG2  THR  75          3HG2      THR  75 -13.694   9.649  -7.149
  863    H    VAL  76           H        VAL  76 -11.322   7.392  -6.637
  864    HA   VAL  76           HA       VAL  76 -10.882  10.172  -6.128
  865    HB   VAL  76           HB       VAL  76  -9.792   9.471  -4.080
  866   1HG1  VAL  76          1HG1      VAL  76 -11.664   8.238  -3.076
  867   2HG1  VAL  76          2HG1      VAL  76 -12.279   7.879  -4.689
  868   3HG1  VAL  76          3HG1      VAL  76 -12.216   9.547  -4.121
  869   1HG2  VAL  76          1HG2      VAL  76 -10.063   6.659  -5.139
  870   2HG2  VAL  76          2HG2      VAL  76  -9.525   7.103  -3.519
  871   3HG2  VAL  76          3HG2      VAL  76  -8.554   7.546  -4.924
  872    H    GLY  77           H        GLY  77  -8.963   7.588  -7.497
  873   1HA   GLY  77          1HA       GLY  77  -7.215   8.744  -8.990
  874   2HA   GLY  77          2HA       GLY  77  -6.620   9.377  -7.465
  875    H    MET  78           H        MET  78  -7.811   6.247  -7.053
  876    HA   MET  78           HA       MET  78  -5.132   5.171  -6.921
  877   1HB   MET  78          1HB       MET  78  -7.797   3.806  -6.477
  878   2HB   MET  78          2HB       MET  78  -6.219   3.122  -6.108
  879   1HG   MET  78          1HG       MET  78  -5.842   4.965  -4.503
  880   2HG   MET  78          2HG       MET  78  -7.481   5.530  -4.820
  881   1HE   MET  78          1HE       MET  78  -6.218   1.826  -4.609
  882   2HE   MET  78          2HE       MET  78  -6.472   1.467  -2.900
  883   3HE   MET  78          3HE       MET  78  -5.263   2.660  -3.383
  884    H    ARG  79           H        ARG  79  -4.152   4.514  -8.691
  885    HA   ARG  79           HA       ARG  79  -5.735   4.145 -11.102
  886   1HB   ARG  79          1HB       ARG  79  -2.726   4.163 -10.905
  887   2HB   ARG  79          2HB       ARG  79  -3.722   4.513 -12.311
  888   1HG   ARG  79          1HG       ARG  79  -3.526   6.214  -9.834
  889   2HG   ARG  79          2HG       ARG  79  -2.722   6.531 -11.370
  890   1HD   ARG  79          1HD       ARG  79  -4.840   6.830 -12.472
  891   2HD   ARG  79          2HD       ARG  79  -5.710   6.340 -11.018
  892    HE   ARG  79           HE       ARG  79  -4.145   8.498 -10.294
  893   1HH1  ARG  79          1HH1      ARG  79  -6.741   7.884 -12.548
  894   2HH1  ARG  79          2HH1      ARG  79  -7.364   9.502 -12.476
  895   1HH2  ARG  79          1HH2      ARG  79  -4.961  10.632 -10.180
  896   2HH2  ARG  79          2HH2      ARG  79  -6.369  11.060 -11.123
  897    H    LEU  80           H        LEU  80  -5.638   2.364 -12.434
  898    HA   LEU  80           HA       LEU  80  -5.169  -0.181 -11.219
  899   1HB   LEU  80          1HB       LEU  80  -5.644   0.540 -14.116
  900   2HB   LEU  80          2HB       LEU  80  -5.719  -1.077 -13.446
  901    HG   LEU  80           HG       LEU  80  -7.554   1.161 -12.599
  902   1HD1  LEU  80          1HD1      LEU  80  -7.855   0.656 -14.968
  903   2HD1  LEU  80          2HD1      LEU  80  -9.233   0.106 -14.013
  904   3HD1  LEU  80          3HD1      LEU  80  -8.035  -1.056 -14.583
  905   1HD2  LEU  80          1HD2      LEU  80  -7.276  -0.637 -10.966
  906   2HD2  LEU  80          2HD2      LEU  80  -7.681  -1.827 -12.203
  907   3HD2  LEU  80          3HD2      LEU  80  -8.891  -0.659 -11.673
  908    H    GLU  81           H        GLU  81  -3.495   1.872 -13.523
  909    HA   GLU  81           HA       GLU  81  -1.405  -0.030 -14.042
  910   1HB   GLU  81          1HB       GLU  81  -0.306   1.813 -15.235
  911   2HB   GLU  81          2HB       GLU  81  -1.982   1.624 -15.726
  912   1HG   GLU  81          1HG       GLU  81  -2.637   3.520 -14.408
  913   2HG   GLU  81          2HG       GLU  81  -1.009   3.665 -13.743
  914    H    ALA  82           H        ALA  82  -2.120   1.600 -11.335
  915    HA   ALA  82           HA       ALA  82   0.673   2.028 -10.542
  916   1HB   ALA  82          1HB       ALA  82  -0.877   3.857 -10.043
  917   2HB   ALA  82          2HB       ALA  82  -0.246   3.136  -8.562
  918   3HB   ALA  82          3HB       ALA  82  -1.881   2.754  -9.101
  919    H    VAL  83           H        VAL  83  -1.367  -0.429 -10.775
  920    HA   VAL  83           HA       VAL  83  -0.947  -1.585  -8.145
  921    HB   VAL  83           HB       VAL  83  -2.339  -2.728 -10.571
  922   1HG1  VAL  83          1HG1      VAL  83  -1.415  -4.495  -9.185
  923   2HG1  VAL  83          2HG1      VAL  83  -3.171  -4.447  -9.025
  924   3HG1  VAL  83          3HG1      VAL  83  -2.151  -3.780  -7.750
  925   1HG2  VAL  83          1HG2      VAL  83  -3.445  -1.575  -8.015
  926   2HG2  VAL  83          2HG2      VAL  83  -4.392  -2.351  -9.286
  927   3HG2  VAL  83          3HG2      VAL  83  -3.537  -0.843  -9.617
  928    H    ARG  84           H        ARG  84   0.966  -2.426  -7.765
  929    HA   ARG  84           HA       ARG  84   2.420  -3.873  -9.799
  930   1HB   ARG  84          1HB       ARG  84   3.762  -2.659  -8.252
  931   2HB   ARG  84          2HB       ARG  84   2.896  -3.319  -6.873
  932   1HG   ARG  84          1HG       ARG  84   3.954  -5.390  -7.050
  933   2HG   ARG  84          2HG       ARG  84   4.489  -5.075  -8.703
  934   1HD   ARG  84          1HD       ARG  84   5.411  -3.427  -6.367
  935   2HD   ARG  84          2HD       ARG  84   6.245  -4.900  -6.873
  936    HE   ARG  84           HE       ARG  84   5.916  -3.289  -9.129
  937   1HH1  ARG  84          1HH1      ARG  84   7.578  -3.103  -6.045
  938   2HH1  ARG  84          2HH1      ARG  84   8.955  -2.267  -6.697
  939   1HH2  ARG  84          1HH2      ARG  84   7.697  -2.166  -9.980
  940   2HH2  ARG  84          2HH2      ARG  84   9.004  -1.703  -8.937
  941    H    ALA  85           H        ALA  85   0.906  -5.469 -10.337
  942    HA   ALA  85           HA       ALA  85  -0.029  -7.294  -8.291
  943   1HB   ALA  85          1HB       ALA  85  -1.241  -8.385 -10.077
  944   2HB   ALA  85          2HB       ALA  85  -0.400  -7.401 -11.274
  945   3HB   ALA  85          3HB       ALA  85  -1.501  -6.642 -10.124
  946    H    ASP  86           H        ASP  86   2.834  -7.014  -9.852
  947    HA   ASP  86           HA       ASP  86   3.255  -9.795 -10.516
  948   1HB   ASP  86          1HB       ASP  86   4.404  -8.124 -11.851
  949   2HB   ASP  86          2HB       ASP  86   5.148  -7.433 -10.414
  950    H    ARG  87           H        ARG  87   5.153  -7.637  -8.476
  951    HA   ARG  87           HA       ARG  87   4.671  -8.798  -6.014
  952   1HB   ARG  87          1HB       ARG  87   6.428 -10.386  -7.638
  953   2HB   ARG  87          2HB       ARG  87   7.364  -9.689  -6.326
  954   1HG   ARG  87          1HG       ARG  87   4.847 -11.305  -5.989
  955   2HG   ARG  87          2HG       ARG  87   6.490 -11.919  -5.800
  956   1HD   ARG  87          1HD       ARG  87   5.181  -9.751  -4.155
  957   2HD   ARG  87          2HD       ARG  87   5.508 -11.405  -3.638
  958    HE   ARG  87           HE       ARG  87   7.818  -9.858  -4.471
  959   1HH1  ARG  87          1HH1      ARG  87   5.832 -10.980  -1.812
  960   2HH1  ARG  87          2HH1      ARG  87   7.064 -10.698  -0.612
  961   1HH2  ARG  87          1HH2      ARG  87   9.426  -9.464  -2.871
  962   2HH2  ARG  87          2HH2      ARG  87   9.079  -9.839  -1.214
  963    H    MET  88           H        MET  88   5.626  -7.505  -4.450
  964    HA   MET  88           HA       MET  88   7.055  -5.191  -5.224
  965   1HB   MET  88          1HB       MET  88   5.670  -5.393  -3.144
  966   2HB   MET  88          2HB       MET  88   6.941  -6.395  -2.458
  967   1HG   MET  88          1HG       MET  88   7.043  -4.046  -1.721
  968   2HG   MET  88          2HG       MET  88   8.506  -4.583  -2.549
  969   1HE   MET  88          1HE       MET  88   8.102  -0.758  -3.498
  970   2HE   MET  88          2HE       MET  88   9.128  -1.950  -2.699
  971   3HE   MET  88          3HE       MET  88   7.580  -1.500  -1.986
  972    H    ARG  89           H        ARG  89   8.872  -5.687  -6.334
  973    HA   ARG  89           HA       ARG  89  11.094  -6.802  -4.842
  974   1HB   ARG  89          1HB       ARG  89  10.128  -7.963  -7.460
  975   2HB   ARG  89          2HB       ARG  89  11.690  -8.320  -6.740
  976   1HG   ARG  89          1HG       ARG  89  10.572  -9.302  -4.795
  977   2HG   ARG  89          2HG       ARG  89   8.995  -8.941  -5.510
  978   1HD   ARG  89          1HD       ARG  89  11.115 -10.721  -6.730
  979   2HD   ARG  89          2HD       ARG  89   9.685 -11.281  -5.865
  980    HE   ARG  89           HE       ARG  89   9.080  -9.549  -8.083
  981   1HH1  ARG  89          1HH1      ARG  89   9.814 -12.858  -7.171
  982   2HH1  ARG  89          2HH1      ARG  89   8.917 -13.550  -8.492
  983   1HH2  ARG  89          1HH2      ARG  89   7.867 -10.466  -9.803
  984   2HH2  ARG  89          2HH2      ARG  89   7.816 -12.197  -9.980
  985    H    GLY  90           H        GLY  90   9.973  -5.430  -7.922
  986   1HA   GLY  90          1HA       GLY  90  12.677  -4.528  -8.533
  987   2HA   GLY  90          2HA       GLY  90  11.296  -4.474  -9.613
  988    H    GLY  91           H        GLY  91  12.557  -2.317  -9.853
  989   1HA   GLY  91          1HA       GLY  91  12.135  -0.356  -7.789
  990   2HA   GLY  91          2HA       GLY  91  12.839  -0.073  -9.373
  991    H    ARG  92           H        ARG  92  10.994   1.646  -8.065
  992    HA   ARG  92           HA       ARG  92   8.433   1.225  -9.385
  993   1HB   ARG  92          1HB       ARG  92   9.433   3.409  -7.549
  994   2HB   ARG  92          2HB       ARG  92   7.811   3.361  -8.228
  995   1HG   ARG  92          1HG       ARG  92   7.254   1.417  -7.013
  996   2HG   ARG  92          2HG       ARG  92   8.935   1.133  -6.561
  997   1HD   ARG  92          1HD       ARG  92   7.604   2.055  -4.707
  998   2HD   ARG  92          2HD       ARG  92   8.937   3.110  -5.173
  999    HE   ARG  92           HE       ARG  92   6.895   4.122  -6.593
 1000   1HH1  ARG  92          1HH1      ARG  92   7.178   3.212  -3.237
 1001   2HH1  ARG  92          2HH1      ARG  92   6.100   4.443  -2.666
 1002   1HH2  ARG  92          1HH2      ARG  92   5.454   5.754  -5.862
 1003   2HH2  ARG  92          2HH2      ARG  92   5.109   5.886  -4.168
 1004    H    ASN  93           H        ASN  93   9.007   1.410 -11.559
 1005    HA   ASN  93           HA       ASN  93  10.316   3.832 -12.474
 1006   1HB   ASN  93          1HB       ASN  93  10.854   1.668 -13.528
 1007   2HB   ASN  93          2HB       ASN  93   9.182   1.517 -14.060
 1008   1HD2  ASN  93          1HD2      ASN  93  11.068   4.483 -14.041
 1009   2HD2  ASN  93          2HD2      ASN  93  11.107   4.690 -15.759
 1010    H    LYS  94           H        LYS  94   7.155   2.268 -12.856
 1011    HA   LYS  94           HA       LYS  94   6.057   4.068 -14.678
 1012   1HB   LYS  94          1HB       LYS  94   4.594   2.486 -12.557
 1013   2HB   LYS  94          2HB       LYS  94   3.879   3.181 -14.006
 1014   1HG   LYS  94          1HG       LYS  94   5.297   1.721 -15.384
 1015   2HG   LYS  94          2HG       LYS  94   5.957   1.003 -13.916
 1016   1HD   LYS  94          1HD       LYS  94   4.312  -0.512 -14.524
 1017   2HD   LYS  94          2HD       LYS  94   3.483   0.496 -13.339
 1018   1HE   LYS  94          1HE       LYS  94   3.331   0.929 -16.318
 1019   2HE   LYS  94          2HE       LYS  94   2.165  -0.026 -15.407
 1020   1HZ   LYS  94          1HZ       LYS  94   1.572   1.919 -14.143
 1021   2HZ   LYS  94          2HZ       LYS  94   1.422   2.257 -15.800
 1022   3HZ   LYS  94          3HZ       LYS  94   2.748   2.852 -14.934
 1023    H    PHE  95           H        PHE  95   5.244   3.935 -11.201
 1024    HA   PHE  95           HA       PHE  95   4.530   6.764 -11.362
 1025   1HB   PHE  95          1HB       PHE  95   3.849   4.592  -9.395
 1026   2HB   PHE  95          2HB       PHE  95   3.610   6.294  -8.998
 1027    HD1  PHE  95           HD1      PHE  95   1.550   7.192  -9.404
 1028    HD2  PHE  95           HD2      PHE  95   2.860   3.920 -11.788
 1029    HE1  PHE  95           HE1      PHE  95  -0.611   7.188 -10.580
 1030    HE2  PHE  95           HE2      PHE  95   0.704   3.909 -12.967
 1031    HZ   PHE  95           HZ       PHE  95  -1.036   5.544 -12.364
 1032    H    GLY  96           H        GLY  96   7.146   6.468 -11.571
 1033   1HA   GLY  96          1HA       GLY  96   8.309   7.041  -8.948
 1034   2HA   GLY  96          2HA       GLY  96   9.191   6.860 -10.458
 1035    HA   PRO  97           HA       PRO  97   9.573  11.156 -11.168
 1036   1HB   PRO  97          1HB       PRO  97   8.091  10.918 -13.733
 1037   2HB   PRO  97          2HB       PRO  97   9.718  11.535 -13.422
 1038   1HG   PRO  97          1HG       PRO  97   9.378   9.153 -14.540
 1039   2HG   PRO  97          2HG       PRO  97  10.647   9.408 -13.327
 1040   1HD   PRO  97          1HD       PRO  97   7.971   8.097 -13.027
 1041   2HD   PRO  97          2HD       PRO  97   9.542   7.622 -12.347
 1042    H    MET  98           H        MET  98   6.373  10.323 -12.566
 1043    HA   MET  98           HA       MET  98   5.191  12.802 -12.057
 1044   1HB   MET  98          1HB       MET  98   3.021  11.656 -12.282
 1045   2HB   MET  98          2HB       MET  98   4.144  11.190 -13.550
 1046   1HG   MET  98          1HG       MET  98   4.535   9.082 -12.528
 1047   2HG   MET  98          2HG       MET  98   3.680   9.576 -11.069
 1048   1HE   MET  98          1HE       MET  98   1.109   9.699 -10.806
 1049   2HE   MET  98          2HE       MET  98  -0.021   9.654 -12.160
 1050   3HE   MET  98          3HE       MET  98   1.123  10.987 -12.011
 1051    H    TYR  99           H        TYR  99   5.704  10.077  -9.959
 1052    HA   TYR  99           HA       TYR  99   3.779  10.838  -7.997
 1053   1HB   TYR  99          1HB       TYR  99   4.543   8.506  -8.264
 1054   2HB   TYR  99          2HB       TYR  99   6.155   8.984  -7.738
 1055    HD1  TYR  99           HD1      TYR  99   2.631   8.726  -6.656
 1056    HD2  TYR  99           HD2      TYR  99   6.685   9.135  -5.440
 1057    HE1  TYR  99           HE1      TYR  99   1.957   8.364  -4.325
 1058    HE2  TYR  99           HE2      TYR  99   6.028   8.774  -3.100
 1059    HH   TYR  99           HH       TYR  99   2.824   7.764  -2.223
 1060    H    LYS 100           H        LYS 100   7.340  11.030  -8.158
 1061    HA   LYS 100           HA       LYS 100   7.680  12.246  -5.656
 1062   1HB   LYS 100          1HB       LYS 100   9.900  12.892  -6.406
 1063   2HB   LYS 100          2HB       LYS 100   9.547  11.245  -6.906
 1064   1HG   LYS 100          1HG       LYS 100   9.092  12.011  -9.165
 1065   2HG   LYS 100          2HG       LYS 100   9.373  13.681  -8.668
 1066   1HD   LYS 100          1HD       LYS 100  11.345  12.855  -9.769
 1067   2HD   LYS 100          2HD       LYS 100  11.694  13.049  -8.050
 1068   1HE   LYS 100          1HE       LYS 100  11.357  10.659  -7.705
 1069   2HE   LYS 100          2HE       LYS 100  10.975  10.458  -9.415
 1070   1HZ   LYS 100          1HZ       LYS 100  13.280   9.858  -8.830
 1071   2HZ   LYS 100          2HZ       LYS 100  13.575  11.473  -8.394
 1072   3HZ   LYS 100          3HZ       LYS 100  13.191  11.084 -10.001
 1073    H    ARG 101           H        ARG 101   7.128  13.636  -8.856
 1074    HA   ARG 101           HA       ARG 101   7.531  16.325  -8.099
 1075   1HB   ARG 101          1HB       ARG 101   5.869  15.170 -10.340
 1076   2HB   ARG 101          2HB       ARG 101   6.244  16.877 -10.158
 1077   1HG   ARG 101          1HG       ARG 101   8.643  16.334 -10.353
 1078   2HG   ARG 101          2HG       ARG 101   8.204  14.647 -10.643
 1079   1HD   ARG 101          1HD       ARG 101   6.865  15.369 -12.587
 1080   2HD   ARG 101          2HD       ARG 101   7.416  17.024 -12.320
 1081    HE   ARG 101           HE       ARG 101   9.704  15.502 -12.516
 1082   1HH1  ARG 101          1HH1      ARG 101   6.956  16.262 -14.571
 1083   2HH1  ARG 101          2HH1      ARG 101   7.839  15.989 -16.045
 1084   1HH2  ARG 101          1HH2      ARG 101  10.846  15.165 -14.453
 1085   2HH2  ARG 101          2HH2      ARG 101  10.046  15.377 -15.983
 1086    H    ASP 102           H        ASP 102   4.499  14.493  -8.600
 1087    HA   ASP 102           HA       ASP 102   2.788  16.595  -7.902
 1088   1HB   ASP 102          1HB       ASP 102   1.994  14.591  -9.070
 1089   2HB   ASP 102          2HB       ASP 102   2.290  13.625  -7.628
 1090    H    ARG 103           H        ARG 103   4.196  14.029  -5.915
 1091    HA   ARG 103           HA       ARG 103   2.827  14.678  -3.539
 1092   1HB   ARG 103          1HB       ARG 103   4.046  12.546  -3.949
 1093   2HB   ARG 103          2HB       ARG 103   5.564  13.423  -3.806
 1094   1HG   ARG 103          1HG       ARG 103   4.991  14.017  -1.498
 1095   2HG   ARG 103          2HG       ARG 103   3.490  13.103  -1.646
 1096   1HD   ARG 103          1HD       ARG 103   5.124  11.743  -0.526
 1097   2HD   ARG 103          2HD       ARG 103   4.827  11.074  -2.132
 1098    HE   ARG 103           HE       ARG 103   6.992  12.771  -2.410
 1099   1HH1  ARG 103          1HH1      ARG 103   6.233   9.885  -0.575
 1100   2HH1  ARG 103          2HH1      ARG 103   7.891   9.364  -0.465
 1101   1HH2  ARG 103          1HH2      ARG 103   9.183  12.065  -2.274
 1102   2HH2  ARG 103          2HH2      ARG 103   9.546  10.587  -1.434
 1103    H    ALA 104           H        ALA 104   5.887  15.817  -4.904
 1104    HA   ALA 104           HA       ALA 104   6.627  17.384  -2.643
 1105   1HB   ALA 104          1HB       ALA 104   8.263  16.633  -4.303
 1106   2HB   ALA 104          2HB       ALA 104   8.290  18.386  -4.112
 1107   3HB   ALA 104          3HB       ALA 104   7.503  17.664  -5.515
 1108    H    LEU 105           H        LEU 105   4.862  18.047  -5.619
 1109    HA   LEU 105           HA       LEU 105   4.636  20.854  -5.152
 1110   1HB   LEU 105          1HB       LEU 105   2.982  19.070  -6.939
 1111   2HB   LEU 105          2HB       LEU 105   3.051  20.822  -7.010
 1112    HG   LEU 105           HG       LEU 105   5.337  18.942  -7.602
 1113   1HD1  LEU 105          1HD1      LEU 105   3.724  20.699  -9.442
 1114   2HD1  LEU 105          2HD1      LEU 105   3.592  18.945  -9.318
 1115   3HD1  LEU 105          3HD1      LEU 105   5.090  19.676  -9.898
 1116   1HD2  LEU 105          1HD2      LEU 105   6.546  20.938  -8.298
 1117   2HD2  LEU 105          2HD2      LEU 105   6.095  21.031  -6.593
 1118   3HD2  LEU 105          3HD2      LEU 105   5.187  21.946  -7.798
 1119    H    LYS 106           H        LYS 106   2.906  18.071  -4.116
 1120    HA   LYS 106           HA       LYS 106   0.473  19.468  -3.472
 1121   1HB   LYS 106          1HB       LYS 106   0.779  16.959  -4.052
 1122   2HB   LYS 106          2HB       LYS 106   1.221  16.787  -2.358
 1123   1HG   LYS 106          1HG       LYS 106  -0.930  17.717  -1.694
 1124   2HG   LYS 106          2HG       LYS 106  -1.374  17.904  -3.392
 1125   1HD   LYS 106          1HD       LYS 106  -1.057  15.438  -3.652
 1126   2HD   LYS 106          2HD       LYS 106  -0.861  15.339  -1.902
 1127   1HE   LYS 106          1HE       LYS 106  -3.290  16.287  -3.414
 1128   2HE   LYS 106          2HE       LYS 106  -3.140  14.808  -2.466
 1129   1HZ   LYS 106          1HZ       LYS 106  -2.790  16.215  -0.486
 1130   2HZ   LYS 106          2HZ       LYS 106  -4.310  16.450  -1.197
 1131   3HZ   LYS 106          3HZ       LYS 106  -3.082  17.594  -1.430
 1132    H    GLN 107           H        GLN 107   3.411  18.537  -1.805
 1133    HA   GLN 107           HA       GLN 107   2.357  19.413   0.759
 1134   1HB   GLN 107          1HB       GLN 107   4.552  18.812   1.665
 1135   2HB   GLN 107          2HB       GLN 107   3.864  17.491   0.733
 1136   1HG   GLN 107          1HG       GLN 107   5.294  18.140  -1.172
 1137   2HG   GLN 107          2HG       GLN 107   6.031  19.378  -0.154
 1138   1HE2  GLN 107          1HE2      GLN 107   7.239  17.061  -1.453
 1139   2HE2  GLN 107          2HE2      GLN 107   7.976  16.140  -0.193
 1140    H    GLN 108           H        GLN 108   3.637  20.831  -1.930
 1141    HA   GLN 108           HA       GLN 108   5.126  22.973  -0.788
 1142   1HB   GLN 108          1HB       GLN 108   5.299  22.256  -3.163
 1143   2HB   GLN 108          2HB       GLN 108   3.656  22.815  -3.432
 1144   1HG   GLN 108          1HG       GLN 108   4.394  25.105  -2.838
 1145   2HG   GLN 108          2HG       GLN 108   6.047  24.500  -2.729
 1146   1HE2  GLN 108          1HE2      GLN 108   3.715  23.375  -5.076
 1147   2HE2  GLN 108          2HE2      GLN 108   4.489  24.056  -6.469
 1148    H    LYS 109           H        LYS 109   4.431  25.097  -0.342
 1149    HA   LYS 109           HA       LYS 109   1.934  25.424   0.830
 1150   1HB   LYS 109          1HB       LYS 109   3.864  27.469  -0.258
 1151   2HB   LYS 109          2HB       LYS 109   2.414  27.906   0.633
 1152   1HG   LYS 109          1HG       LYS 109   4.465  26.049   1.792
 1153   2HG   LYS 109          2HG       LYS 109   4.631  27.800   1.902
 1154   1HD   LYS 109          1HD       LYS 109   3.600  27.113   3.916
 1155   2HD   LYS 109          2HD       LYS 109   2.322  27.829   2.937
 1156   1HE   LYS 109          1HE       LYS 109   1.635  25.559   2.239
 1157   2HE   LYS 109          2HE       LYS 109   2.873  24.884   3.299
 1158   1HZ   LYS 109          1HZ       LYS 109   1.761  25.907   5.188
 1159   2HZ   LYS 109          2HZ       LYS 109   0.704  24.876   4.358
 1160   3HZ   LYS 109          3HZ       LYS 109   0.569  26.552   4.166
 1161    H    LYS 110           H        LYS 110   2.881  27.228  -2.104
 1162    HA   LYS 110           HA       LYS 110   0.204  26.661  -3.188
 1163   1HB   LYS 110          1HB       LYS 110   1.692  29.289  -3.220
 1164   2HB   LYS 110          2HB       LYS 110   0.295  28.952  -4.232
 1165   1HG   LYS 110          1HG       LYS 110   0.321  28.924  -1.218
 1166   2HG   LYS 110          2HG       LYS 110  -0.299  30.228  -2.232
 1167   1HD   LYS 110          1HD       LYS 110  -1.946  28.672  -3.194
 1168   2HD   LYS 110          2HD       LYS 110  -1.339  27.396  -2.136
 1169   1HE   LYS 110          1HE       LYS 110  -3.364  28.391  -1.218
 1170   2HE   LYS 110          2HE       LYS 110  -1.979  28.716  -0.177
 1171   1HZ   LYS 110          1HZ       LYS 110  -3.046  30.632  -2.180
 1172   2HZ   LYS 110          2HZ       LYS 110  -1.841  30.933  -1.022
 1173   3HZ   LYS 110          3HZ       LYS 110  -3.440  30.661  -0.531
 1174    H    ALA 111           H        ALA 111   0.065  26.501  -5.458
 1175    HA   ALA 111           HA       ALA 111   2.674  26.169  -6.780
 1176   1HB   ALA 111          1HB       ALA 111   1.730  24.322  -8.061
 1177   2HB   ALA 111          2HB       ALA 111   0.191  24.512  -7.221
 1178   3HB   ALA 111          3HB       ALA 111   1.625  24.000  -6.329
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  29.216   3.827   0.029
    2   2H5*    G   1          2H5*        G   1  28.294   2.358   0.392
    3    H4*    G   1           H4*        G   1  27.987   4.586   1.753
    4    H3*    G   1           H3*        G   1  26.526   2.277   1.679
    5    H1*    G   1           H1*        G   1  24.993   5.769   1.303
    6    H8     G   1           H8         G   1  25.271   4.112  -2.201
    7    H1     G   1           H1         G   1  21.028   8.903  -1.645
    8   1H2     G   1          1H2         G   1  20.999   9.640   0.440
    9   2H2     G   1          2H2         G   1  22.022   8.955   1.684
   10    H5T    G   1           H5T        G   1  27.196   4.201  -1.405
   11   1H2*    G   1          1H2*        G   1  24.894   2.967   0.075
   12   2H2*    G   1          2H2*        G   1  24.124   3.525   1.553
   13   1H5*    G   2          1H5*        G   2  25.149   6.359   4.632
   14   2H5*    G   2          2H5*        G   2  24.987   5.158   5.931
   15    H4*    G   2           H4*        G   2  23.619   7.125   6.340
   16    H3*    G   2           H3*        G   2  22.748   4.631   6.812
   17    H1*    G   2           H1*        G   2  20.499   7.029   4.626
   18    H8     G   2           H8         G   2  22.492   4.295   2.752
   19    H1     G   2           H1         G   2  18.291   7.623  -0.780
   20   1H2     G   2          1H2         G   2  17.367   9.209   0.436
   21   2H2     G   2          2H2         G   2  17.778   9.454   2.119
   22   1H2*    G   2          1H2*        G   2  21.558   4.195   4.801
   23   2H2*    G   2          2H2*        G   2  20.270   4.957   5.722
   24   1H5*    C   3          1H5*        C   3  20.203   7.879   5.866
   25   2H5*    C   3          2H5*        C   3  19.841   8.507   7.486
   26    H4*    C   3           H4*        C   3  18.321   9.652   6.249
   27    H3*    C   3           H3*        C   3  17.101   7.918   7.877
   28    H1*    C   3           H1*        C   3  16.106   7.916   4.086
   29   1H4     C   3          1H4         C   3  17.842   3.005   0.496
   30   2H4     C   3          2H4         C   3  18.881   2.363   1.749
   31    H5     C   3           H5         C   3  19.164   3.438   3.902
   32    H6     C   3           H6         C   3  18.522   5.348   5.277
   33   1H2*    C   3          1H2*        C   3  16.850   6.068   6.381
   34   2H2*    C   3          2H2*        C   3  15.334   6.909   6.087
   35   1H5*    T   4          1H5*        T   4  14.609  10.251   5.348
   36   2H5*    T   4          2H5*        T   4  13.480  11.483   5.950
   37    H4*    T   4           H4*        T   4  12.233  10.806   4.232
   38    H3*    T   4           H3*        T   4  11.360   9.412   6.519
   39   1H2*    T   4          1H2*        T   4  11.810   7.227   5.756
   40   2H2*    T   4          2H2*        T   4  10.352   7.483   4.807
   41    H1*    T   4           H1*        T   4  11.571   8.220   2.870
   42    H3     T   4           H3         T   4  13.228   4.542   0.967
   43   1H5M    T   4          1H5M        T   4  14.521   4.036   6.039
   44   2H5M    T   4          2H5M        T   4  15.364   3.146   4.749
   45   3H5M    T   4          3H5M        T   4  15.996   4.713   5.306
   46    H6     T   4           H6         T   4  13.736   6.448   5.312
   47   1H5*    C   5          1H5*        C   5  10.485   8.600   2.320
   48   2H5*    C   5          2H5*        C   5   9.536  10.090   2.495
   49    H4*    C   5           H4*        C   5   8.845   9.550   0.434
   50    H3*    C   5           H3*        C   5   6.829   9.023   2.072
   51    H1*    C   5           H1*        C   5   8.081   5.976  -0.181
   52   1H4     C   5          1H4         C   5  11.350   1.536   2.895
   53   2H4     C   5          2H4         C   5  11.413   2.486   4.363
   54    H5     C   5           H5         C   5  10.450   4.714   4.530
   55    H6     C   5           H6         C   5   9.240   6.455   3.324
   56   1H2*    C   5          1H2*        C   5   7.244   6.741   2.609
   57   2H2*    C   5          2H2*        C   5   6.258   6.507   1.172
   58   1H5*    A   6          1H5*        A   6   6.683   6.914  -1.672
   59   2H5*    A   6          2H5*        A   6   5.301   7.316  -2.711
   60    H4*    A   6           H4*        A   6   5.628   5.141  -3.267
   61    H3*    A   6           H3*        A   6   3.352   5.497  -1.701
   62    H1*    A   6           H1*        A   6   5.792   2.529  -1.605
   63    H8     A   6           H8         A   6   6.094   4.682   1.627
   64   1H6     A   6          1H6         A   6   9.035  -0.243   3.960
   65   2H6     A   6          2H6         A   6   8.483   1.386   4.280
   66    H2     A   6           H2         A   6   7.811  -1.210  -0.249
   67   1H2*    A   6          1H2*        A   6   4.050   4.280   0.200
   68   2H2*    A   6          2H2*        A   6   3.559   2.914  -0.791
   69   1H5*    G   7          1H5*        G   7   3.109   2.472  -5.509
   70   2H5*    G   7          2H5*        G   7   1.418   1.961  -5.697
   71    H4*    G   7           H4*        G   7   3.196   0.286  -6.345
   72    H3*    G   7           H3*        G   7   0.722  -0.260  -5.534
   73    H1*    G   7           H1*        G   7   3.670  -1.860  -3.525
   74    H8     G   7           H8         G   7   2.536   1.541  -2.043
   75    H1     G   7           H1         G   7   5.631  -2.414   1.955
   76   1H2     G   7          1H2         G   7   6.124  -4.295   0.913
   77   2H2     G   7          2H2         G   7   5.693  -4.577  -0.759
   78   1H2*    G   7          1H2*        G   7   1.090  -0.294  -3.164
   79   2H2*    G   7          2H2*        G   7   1.307  -1.997  -3.544
   80   1H5*    G   8          1H5*        G   8   4.004  -3.327  -3.925
   81   2H5*    G   8          2H5*        G   8   3.784  -3.914  -5.586
   82    H4*    G   8           H4*        G   8   4.607  -5.815  -4.745
   83    H3*    G   8           H3*        G   8   1.999  -6.203  -5.028
   84    H1*    G   8           H1*        G   8   3.512  -6.900  -1.453
   85    H8     G   8           H8         G   8   1.724  -3.520  -1.991
   86    H1     G   8           H1         G   8   3.539  -4.726   4.044
   87   1H2     G   8          1H2         G   8   4.623  -6.629   4.148
   88   2H2     G   8          2H2         G   8   4.907  -7.623   2.736
   89   1H2*    G   8          1H2*        G   8   1.246  -5.469  -2.877
   90   2H2*    G   8          2H2*        G   8   1.447  -7.188  -2.565
   91   1H5*    G   9          1H5*        G   9   4.288  -8.574  -2.356
   92   2H5*    G   9          2H5*        G   9   4.777 -10.047  -3.220
   93    H4*    G   9           H4*        G   9   5.315 -10.714  -1.145
   94    H3*    G   9           H3*        G   9   3.091 -12.012  -1.874
   95    H1*    G   9           H1*        G   9   3.202 -10.280   1.592
   96    H8     G   9           H8         G   9   1.327  -8.165  -1.064
   97    H1     G   9           H1         G   9   0.749  -6.223   5.030
   98   1H2     G   9          1H2         G   9   1.932  -7.534   6.353
   99   2H2     G   9          2H2         G   9   2.851  -8.891   5.740
  100   1H2*    G   9          1H2*        G   9   1.477 -10.516  -0.914
  101   2H2*    G   9          2H2*        G   9   1.669 -11.678   0.391
  102   1H5*    C  10          1H5*        C  10   4.488 -11.368   2.975
  103   2H5*    C  10          2H5*        C  10   4.833 -13.110   2.954
  104    H4*    C  10           H4*        C  10   4.395 -12.499   5.193
  105    H3*    C  10           H3*        C  10   3.048 -14.566   4.149
  106    H1*    C  10           H1*        C  10   1.050 -11.774   6.024
  107   1H4     C  10          1H4         C  10  -2.683  -7.925   2.657
  108   2H4     C  10          2H4         C  10  -2.224  -8.693   1.151
  109    H5     C  10           H5         C  10  -0.606 -10.491   1.032
  110    H6     C  10           H6         C  10   0.905 -11.901   2.326
  111   1H2*    C  10          1H2*        C  10   1.055 -13.436   3.475
  112   2H2*    C  10          2H2*        C  10   0.595 -13.915   5.103
  113   1H5*    C  11          1H5*        C  11   1.188 -11.777   7.385
  114   2H5*    C  11          2H5*        C  11   2.433 -12.750   8.193
  115    H4*    C  11           H4*        C  11   1.507 -11.926  10.044
  116    H3*    C  11           H3*        C  11   0.629 -14.446   9.815
  117    H1*    C  11           H1*        C  11  -2.223 -11.570  10.036
  118   1H4     C  11          1H4         C  11  -4.847 -10.736   4.339
  119   2H4     C  11          2H4         C  11  -3.950 -12.077   3.661
  120    H5     C  11           H5         C  11  -2.307 -13.332   4.929
  121    H6     C  11           H6         C  11  -1.210 -13.558   7.097
  122   1H2*    C  11          1H2*        C  11  -1.519 -14.223   8.896
  123   2H2*    C  11          2H2*        C  11  -1.980 -13.791  10.537
  124   1H5*    A  12          1H5*        A  12  -1.468 -11.478  12.260
  125   2H5*    A  12          2H5*        A  12  -1.213 -11.893  13.968
  126    H4*    A  12           H4*        A  12  -3.127 -10.671  14.095
  127    H3*    A  12           H3*        A  12  -3.543 -13.285  14.682
  128    H1*    A  12           H1*        A  12  -5.966 -11.330  12.356
  129    H8     A  12           H8         A  12  -3.921 -14.065  10.539
  130   1H6     A  12          1H6         A  12  -7.131 -12.415   5.507
  131   2H6     A  12          2H6         A  12  -5.960 -13.540   6.158
  132    H2     A  12           H2         A  12  -8.241  -9.630   8.847
  133   1H2*    A  12          1H2*        A  12  -4.504 -13.993  12.619
  134   2H2*    A  12          2H2*        A  12  -5.959 -13.451  13.445
  135   1H5*    C  13          1H5*        C  13  -6.664 -10.008  15.123
  136   2H5*    C  13          2H5*        C  13  -7.867 -10.194  16.416
  137    H4*    C  13           H4*        C  13  -8.681  -8.925  14.469
  138    H3*    C  13           H3*        C  13 -10.120 -10.863  15.854
  139    H1*    C  13           H1*        C  13 -10.138 -10.256  12.044
  140   1H4     C  13          1H4         C  13  -8.908 -15.083   8.128
  141   2H4     C  13          2H4         C  13  -8.019 -15.950   9.361
  142    H5     C  13           H5         C  13  -7.741 -15.107  11.619
  143    H6     C  13           H6         C  13  -8.269 -13.273  13.141
  144   1H2*    C  13          1H2*        C  13 -10.253 -12.484  14.136
  145   2H2*    C  13          2H2*        C  13 -11.557 -11.442  13.586
  146   1H5*    A  14          1H5*        A  14 -11.962  -8.752  11.817
  147   2H5*    A  14          2H5*        A  14 -12.603  -7.628  13.034
  148    H4*    A  14           H4*        A  14 -14.055  -7.260  11.323
  149    H3*    A  14           H3*        A  14 -15.332  -8.339  13.361
  150    H1*    A  14           H1*        A  14 -15.596 -10.382   9.943
  151    H8     A  14           H8         A  14 -13.052 -11.560  12.606
  152   1H6     A  14          1H6         A  14 -11.771 -16.130   8.628
  153   2H6     A  14          2H6         A  14 -11.447 -15.475  10.218
  154    H2     A  14           H2         A  14 -14.714 -13.360   6.673
  155   1H2*    A  14          1H2*        A  14 -15.044 -10.665  12.891
  156   2H2*    A  14          2H2*        A  14 -16.572 -10.390  12.068
  157   1H5*    G  15          1H5*        G  15 -17.725  -7.311   9.667
  158   2H5*    G  15          2H5*        G  15 -19.261  -6.473   9.971
  159    H4*    G  15           H4*        G  15 -19.560  -7.626   7.963
  160    H3*    G  15           H3*        G  15 -21.313  -8.148   9.924
  161    H1*    G  15           H1*        G  15 -19.668 -11.110   8.004
  162    H8     G  15           H8         G  15 -18.244 -10.548  11.559
  163    H1     G  15           H1         G  15 -16.122 -15.761   8.471
  164   1H2     G  15          1H2         G  15 -16.948 -15.818   6.429
  165   2H2     G  15          2H2         G  15 -18.021 -14.577   5.821
  166    H3T    G  15           H3T        G  15 -22.532  -9.151   8.317
  167   1H2*    G  15          1H2*        G  15 -20.320 -10.128  10.813
  168   2H2*    G  15          2H2*        G  15 -21.399 -10.836   9.618
  169   1H5*    C  16          1H5*        C  16 -17.255 -23.299   6.540
  170   2H5*    C  16          2H5*        C  16 -15.538 -23.709   6.372
  171    H4*    C  16           H4*        C  16 -16.853 -22.153   4.661
  172    H3*    C  16           H3*        C  16 -14.292 -22.883   4.744
  173    H1*    C  16           H1*        C  16 -15.110 -19.071   5.160
  174   1H4     C  16          1H4         C  16 -14.646 -16.472  10.922
  175   2H4     C  16          2H4         C  16 -13.817 -17.884  11.542
  176    H5     C  16           H5         C  16 -13.451 -19.879  10.217
  177    H6     C  16           H6         C  16 -13.807 -20.921   8.042
  178    H5T    C  16           H5T        C  16 -15.432 -22.917   8.313
  179   1H2*    C  16          1H2*        C  16 -13.486 -21.329   6.382
  180   2H2*    C  16          2H2*        C  16 -13.180 -20.417   4.909
  181   1H5*    T  17          1H5*        T  17 -15.485 -20.640   0.677
  182   2H5*    T  17          2H5*        T  17 -14.257 -19.965  -0.412
  183    H4*    T  17           H4*        T  17 -16.191 -18.488   0.516
  184    H3*    T  17           H3*        T  17 -13.794 -17.807  -0.627
  185   1H2*    T  17          1H2*        T  17 -12.573 -17.369   1.376
  186   2H2*    T  17          2H2*        T  17 -13.308 -15.791   1.130
  187    H1*    T  17           H1*        T  17 -15.142 -16.264   2.622
  188    H3     T  17           H3         T  17 -13.275 -15.636   6.618
  189   1H5M    T  17          1H5M        T  17 -10.709 -19.790   4.383
  190   2H5M    T  17          2H5M        T  17 -11.559 -20.239   5.880
  191   3H5M    T  17          3H5M        T  17 -10.220 -19.067   5.934
  192    H6     T  17           H6         T  17 -12.611 -18.909   3.213
  193   1H5*    G  18          1H5*        G  18 -15.967 -14.285   2.057
  194   2H5*    G  18          2H5*        G  18 -16.618 -13.699   0.513
  195    H4*    G  18           H4*        G  18 -16.512 -11.740   1.623
  196    H3*    G  18           H3*        G  18 -14.645 -11.769  -0.290
  197    H1*    G  18           H1*        G  18 -13.597 -10.737   3.321
  198    H8     G  18           H8         G  18 -12.391 -14.251   2.264
  199    H1     G  18           H1         G  18 -10.689 -12.349   8.153
  200   1H2     G  18          1H2         G  18 -11.625 -10.406   8.621
  201   2H2     G  18          2H2         G  18 -12.662  -9.575   7.482
  202   1H2*    G  18          1H2*        G  18 -12.784 -12.541   1.006
  203   2H2*    G  18          2H2*        G  18 -12.582 -10.802   1.170
  204   1H5*    T  19          1H5*        T  19 -14.408  -9.703   3.842
  205   2H5*    T  19          2H5*        T  19 -15.319  -8.453   2.971
  206    H4*    T  19           H4*        T  19 -14.782  -7.359   4.903
  207    H3*    T  19           H3*        T  19 -13.621  -6.231   2.793
  208   1H2*    T  19          1H2*        T  19 -11.512  -7.351   2.798
  209   2H2*    T  19          2H2*        T  19 -11.114  -5.980   3.825
  210    H1*    T  19           H1*        T  19 -11.251  -7.231   5.811
  211    H3     T  19           H3         T  19  -8.413 -10.662   6.124
  212   1H5M    T  19          1H5M        T  19  -9.358 -12.223   1.937
  213   2H5M    T  19          2H5M        T  19 -11.025 -11.654   1.680
  214   3H5M    T  19          3H5M        T  19  -9.653 -10.675   1.108
  215    H6     T  19           H6         T  19 -11.459  -9.249   2.739
  216   1H5*    G  20          1H5*        G  20 -12.866  -4.588   6.697
  217   2H5*    G  20          2H5*        G  20 -12.975  -2.867   7.119
  218    H4*    G  20           H4*        G  20 -11.295  -3.667   8.481
  219    H3*    G  20           H3*        G  20 -10.459  -1.862   6.483
  220    H1*    G  20           H1*        G  20  -8.600  -4.847   8.018
  221    H8     G  20           H8         G  20  -9.420  -5.495   4.272
  222    H1     G  20           H1         G  20  -4.932  -9.264   6.899
  223   1H2     G  20          1H2         G  20  -4.607  -8.689   9.005
  224   2H2     G  20          2H2         G  20  -5.495  -7.385   9.762
  225   1H2*    G  20          1H2*        G  20  -8.913  -3.288   5.403
  226   2H2*    G  20          2H2*        G  20  -7.908  -2.896   6.792
  227   1H5*    G  21          1H5*        G  21  -8.059  -3.197  10.044
  228   2H5*    G  21          2H5*        G  21  -7.670  -1.760  11.012
  229    H4*    G  21           H4*        G  21  -6.061  -3.329  11.590
  230    H3*    G  21           H3*        G  21  -5.150  -1.005  10.417
  231    H1*    G  21           H1*        G  21  -3.715  -4.519   9.777
  232    H8     G  21           H8         G  21  -5.731  -3.244   6.708
  233    H1     G  21           H1         G  21  -1.853  -8.258   5.677
  234   1H2     G  21          1H2         G  21  -0.821  -8.814   7.550
  235   2H2     G  21          2H2         G  21  -1.082  -7.947   9.049
  236   1H2*    G  21          1H2*        G  21  -4.439  -1.918   8.341
  237   2H2*    G  21          2H2*        G  21  -3.007  -2.271   9.296
  238   1H5*    C  22          1H5*        C  22  -2.599  -4.722  11.612
  239   2H5*    C  22          2H5*        C  22  -1.928  -3.928  13.051
  240    H4*    C  22           H4*        C  22  -0.532  -5.748  12.670
  241    H3*    C  22           H3*        C  22   0.701  -3.398  12.741
  242    H1*    C  22           H1*        C  22   1.389  -5.678   9.637
  243   1H4     C  22          1H4         C  22  -1.144  -4.151   4.048
  244   2H4     C  22          2H4         C  22  -2.134  -2.897   4.759
  245    H5     C  22           H5         C  22  -2.145  -2.415   7.129
  246    H6     C  22           H6         C  22  -1.212  -3.039   9.295
  247   1H2*    C  22          1H2*        C  22   0.594  -2.846  10.402
  248   2H2*    C  22          2H2*        C  22   2.177  -3.606  10.489
  249   1H5*    C  23          1H5*        C  23   2.942  -6.808  11.748
  250   2H5*    C  23          2H5*        C  23   4.270  -7.502  12.701
  251    H4*    C  23           H4*        C  23   4.972  -8.107  10.657
  252    H3*    C  23           H3*        C  23   6.428  -5.906  11.532
  253    H1*    C  23           H1*        C  23   5.258  -6.624   7.946
  254   1H4     C  23          1H4         C  23   1.958  -2.247   4.763
  255   2H4     C  23          2H4         C  23   1.514  -1.413   6.233
  256    H5     C  23           H5         C  23   2.201  -2.162   8.426
  257    H6     C  23           H6         C  23   3.459  -3.855   9.653
  258   1H2*    C  23          1H2*        C  23   5.625  -4.333   9.945
  259   2H2*    C  23          2H2*        C  23   6.848  -5.106   8.943
  260   1H5*    C  24          1H5*        C  24   6.245  -7.440   7.045
  261   2H5*    C  24          2H5*        C  24   7.280  -8.630   7.866
  262    H4*    C  24           H4*        C  24   7.877  -9.133   5.760
  263    H3*    C  24           H3*        C  24   9.875  -7.771   6.878
  264    H1*    C  24           H1*        C  24   8.470  -6.378   3.428
  265   1H4     C  24          1H4         C  24   4.974  -1.119   3.848
  266   2H4     C  24          2H4         C  24   5.193  -1.037   5.581
  267    H5     C  24           H5         C  24   6.414  -2.710   6.833
  268    H6     C  24           H6         C  24   7.667  -4.796   6.679
  269   1H2*    C  24          1H2*        C  24   9.379  -5.557   6.186
  270   2H2*    C  24          2H2*        C  24  10.340  -6.058   4.803
  271   1H5*    T  25          1H5*        T  25  10.027  -9.324   3.023
  272   2H5*    T  25          2H5*        T  25  11.285 -10.124   2.057
  273    H4*    T  25           H4*        T  25   9.953  -8.847   0.581
  274    H3*    T  25           H3*        T  25  12.691  -8.353   0.720
  275   1H2*    T  25          1H2*        T  25  12.600  -6.139   1.555
  276   2H2*    T  25          2H2*        T  25  12.269  -5.770  -0.132
  277    H1*    T  25           H1*        T  25   9.890  -5.764   0.188
  278    H3     T  25           H3         T  25   8.898  -1.920   2.188
  279   1H5M    T  25          1H5M        T  25  12.757  -3.706   5.154
  280   2H5M    T  25          2H5M        T  25  11.424  -2.778   5.882
  281   3H5M    T  25          3H5M        T  25  11.403  -4.556   5.936
  282    H6     T  25           H6         T  25  11.658  -5.597   3.452
  283   1H5*    G  26          1H5*        G  26   9.867  -6.527  -3.410
  284   2H5*    G  26          2H5*        G  26  11.242  -7.028  -4.417
  285    H4*    G  26           H4*        G  26  10.154  -5.062  -5.326
  286    H3*    G  26           H3*        G  26  12.841  -5.285  -5.174
  287    H1*    G  26           H1*        G  26  11.047  -2.066  -4.077
  288    H8     G  26           H8         G  26  12.314  -4.093  -1.020
  289    H1     G  26           H1         G  26  10.083   1.804   0.191
  290   1H2     G  26          1H2         G  26   9.297   2.701  -1.663
  291   2H2     G  26          2H2         G  26   9.331   1.857  -3.196
  292   1H2*    G  26          1H2*        G  26  13.171  -4.056  -3.142
  293   2H2*    G  26          2H2*        G  26  13.338  -2.770  -4.329
  294   1H5*    A  27          1H5*        A  27  10.630  -1.156  -4.914
  295   2H5*    A  27          2H5*        A  27  10.441  -1.837  -6.543
  296    H4*    A  27           H4*        A  27   9.637   0.193  -7.007
  297    H3*    A  27           H3*        A  27  12.071   0.102  -8.052
  298    H1*    A  27           H1*        A  27  11.500   3.035  -5.317
  299    H8     A  27           H8         A  27  13.165  -0.358  -4.437
  300   1H6     A  27          1H6         A  27  14.312   2.227   1.073
  301   2H6     A  27          2H6         A  27  14.525   0.800   0.084
  302    H2     A  27           H2         A  27  11.984   5.167  -1.387
  303   1H2*    A  27          1H2*        A  27  13.432   1.016  -6.356
  304   2H2*    A  27          2H2*        A  27  12.919   2.540  -7.065
  305   1H5*    G  28          1H5*        G  28  10.956   3.680  -6.665
  306   2H5*    G  28          2H5*        G  28  10.237   4.714  -7.916
  307    H4*    G  28           H4*        G  28  10.840   6.360  -6.549
  308    H3*    G  28           H3*        G  28  12.772   6.179  -8.509
  309    H1*    G  28           H1*        G  28  13.383   6.895  -4.825
  310    H8     G  28           H8         G  28  14.963   3.488  -5.792
  311    H1     G  28           H1         G  28  16.046   5.516   0.202
  312   1H2     G  28          1H2         G  28  14.950   7.398   0.570
  313   2H2     G  28          2H2         G  28  13.949   8.148  -0.653
  314   1H2*    G  28          1H2*        G  28  14.493   5.233  -7.148
  315   2H2*    G  28          2H2*        G  28  14.764   6.940  -6.827
  316   1H5*    C  29          1H5*        C  29  12.117   9.101  -5.535
  317   2H5*    C  29          2H5*        C  29  11.776  10.757  -6.080
  318    H4*    C  29           H4*        C  29  12.216  10.966  -3.812
  319    H3*    C  29           H3*        C  29  13.890  12.309  -5.501
  320    H1*    C  29           H1*        C  29  15.157  10.380  -2.389
  321   1H4     C  29          1H4         C  29  19.345   5.694  -3.177
  322   2H4     C  29          2H4         C  29  18.905   5.491  -4.859
  323    H5     C  29           H5         C  29  17.195   6.820  -5.941
  324    H6     C  29           H6         C  29  15.595   8.634  -5.644
  325   1H2*    C  29          1H2*        C  29  15.803  10.902  -5.328
  326   2H2*    C  29          2H2*        C  29  16.094  11.945  -3.943
  327   1H5*    C  30          1H5*        C  30  14.207  13.824  -0.980
  328   2H5*    C  30          2H5*        C  30  14.757  15.510  -0.898
  329    H4*    C  30           H4*        C  30  15.864  14.018   0.721
  330    H3*    C  30           H3*        C  30  17.114  15.997  -0.757
  331    H1*    C  30           H1*        C  30  18.553  12.538   0.062
  332   1H4     C  30          1H4         C  30  20.469   8.600  -4.508
  333   2H4     C  30          2H4         C  30  19.576   9.473  -5.733
  334    H5     C  30           H5         C  30  18.259  11.444  -5.247
  335    H6     C  30           H6         C  30  17.519  12.965  -3.492
  336    H3T    C  30           H3T        C  30  18.409  14.508   1.256
  337   1H2*    C  30          1H2*        C  30  18.375  14.595  -2.199
  338   2H2*    C  30          2H2*        C  30  19.461  14.596  -0.816
  339   1H    ASP  10          1H        ASP  10  -4.053  11.850   9.536
  340    HA   ASP  10           HA       ASP  10  -5.744  12.867  11.713
  341   1HB   ASP  10          1HB       ASP  10  -3.730  14.274  11.479
  342   2HB   ASP  10          2HB       ASP  10  -4.127  14.544   9.784
  343    H    GLU  11           H        GLU  11  -5.282  12.338   8.350
  344    HA   GLU  11           HA       GLU  11  -7.945  13.405   7.764
  345   1HB   GLU  11          1HB       GLU  11  -5.748  12.704   5.806
  346   2HB   GLU  11          2HB       GLU  11  -7.259  13.528   5.449
  347   1HG   GLU  11          1HG       GLU  11  -6.557  15.362   6.936
  348   2HG   GLU  11          2HG       GLU  11  -4.992  14.569   7.106
  349    H    LEU  12           H        LEU  12  -9.425  12.165   6.603
  350    HA   LEU  12           HA       LEU  12  -8.888   9.283   6.644
  351   1HB   LEU  12          1HB       LEU  12 -11.496  10.791   6.865
  352   2HB   LEU  12          2HB       LEU  12 -11.374   9.046   6.741
  353    HG   LEU  12           HG       LEU  12  -9.927   9.174   8.848
  354   1HD1  LEU  12          1HD1      LEU  12 -11.186  11.896   8.984
  355   2HD1  LEU  12          2HD1      LEU  12  -9.465  11.516   8.897
  356   3HD1  LEU  12          3HD1      LEU  12 -10.393  11.071  10.328
  357   1HD2  LEU  12          1HD2      LEU  12 -12.185   8.267   8.830
  358   2HD2  LEU  12          2HD2      LEU  12 -12.847   9.892   9.018
  359   3HD2  LEU  12          3HD2      LEU  12 -11.883   9.177  10.311
  360    H    CYS  13           H        CYS  13 -10.000   8.019   4.979
  361    HA   CYS  13           HA       CYS  13  -9.190   8.894   2.438
  362   1HB   CYS  13          1HB       CYS  13 -11.038   6.617   3.162
  363   2HB   CYS  13          2HB       CYS  13 -10.239   6.830   1.609
  364    HG   CYS  13           HG       CYS  13  -8.608   6.331   4.573
  365    HA   PRO  14           HA       PRO  14 -12.793  11.162   1.111
  366   1HB   PRO  14          1HB       PRO  14 -12.042  11.393  -1.495
  367   2HB   PRO  14          2HB       PRO  14 -11.385  12.402  -0.203
  368   1HG   PRO  14          1HG       PRO  14 -10.204   9.990  -1.515
  369   2HG   PRO  14          2HG       PRO  14  -9.414  11.499  -1.021
  370   1HD   PRO  14          1HD       PRO  14  -9.260   9.208   0.425
  371   2HD   PRO  14          2HD       PRO  14  -9.208  10.821   1.164
  372    H    VAL  15           H        VAL  15 -11.931   8.017   0.346
  373    HA   VAL  15           HA       VAL  15 -14.251   7.656  -1.399
  374    HB   VAL  15           HB       VAL  15 -12.404   6.750  -2.489
  375   1HG1  VAL  15          1HG1      VAL  15 -10.972   6.612  -0.369
  376   2HG1  VAL  15          2HG1      VAL  15 -10.664   5.508  -1.701
  377   3HG1  VAL  15          3HG1      VAL  15 -11.555   4.947  -0.293
  378   1HG2  VAL  15          1HG2      VAL  15 -12.851   4.352  -2.649
  379   2HG2  VAL  15          2HG2      VAL  15 -14.332   5.310  -2.616
  380   3HG2  VAL  15          3HG2      VAL  15 -13.803   4.453  -1.167
  381    H    CYS  16           H        CYS  16 -12.676   5.531   0.949
  382    HA   CYS  16           HA       CYS  16 -15.214   4.363   1.619
  383   1HB   CYS  16          1HB       CYS  16 -13.885   2.904   3.120
  384   2HB   CYS  16          2HB       CYS  16 -13.292   2.915   1.463
  385    HG   CYS  16           HG       CYS  16 -11.464   3.104   3.958
  386    H    GLY  17           H        GLY  17 -12.721   6.082   3.502
  387   1HA   GLY  17          1HA       GLY  17 -13.693   7.921   4.910
  388   2HA   GLY  17          2HA       GLY  17 -14.840   6.709   5.455
  389    H    ASP  18           H        ASP  18 -12.016   5.061   5.122
  390    HA   ASP  18           HA       ASP  18 -11.541   5.017   7.953
  391   1HB   ASP  18          1HB       ASP  18  -9.757   3.861   5.801
  392   2HB   ASP  18          2HB       ASP  18  -9.774   3.431   7.504
  393    H    LYS  19           H        LYS  19  -9.555   5.598   9.000
  394    HA   LYS  19           HA       LYS  19  -8.465   8.088   8.213
  395   1HB   LYS  19          1HB       LYS  19  -7.432   6.029  10.186
  396   2HB   LYS  19          2HB       LYS  19  -6.759   7.640   9.996
  397   1HG   LYS  19          1HG       LYS  19  -8.165   7.739  11.878
  398   2HG   LYS  19          2HG       LYS  19  -9.049   8.535  10.578
  399   1HD   LYS  19          1HD       LYS  19 -10.332   6.470  10.207
  400   2HD   LYS  19          2HD       LYS  19  -9.457   5.697  11.530
  401   1HE   LYS  19          1HE       LYS  19 -11.143   8.181  11.815
  402   2HE   LYS  19          2HE       LYS  19 -11.711   6.548  12.157
  403   1HZ   LYS  19          1HZ       LYS  19 -10.994   7.729  14.156
  404   2HZ   LYS  19          2HZ       LYS  19  -9.429   7.882  13.521
  405   3HZ   LYS  19          3HZ       LYS  19 -10.052   6.347  13.877
  406    H    VAL  20           H        VAL  20  -6.580   8.584   7.124
  407    HA   VAL  20           HA       VAL  20  -5.780   6.609   5.218
  408    HB   VAL  20           HB       VAL  20  -4.373   8.332   4.240
  409   1HG1  VAL  20          1HG1      VAL  20  -6.746   8.342   3.717
  410   2HG1  VAL  20          2HG1      VAL  20  -6.117   9.990   3.756
  411   3HG1  VAL  20          3HG1      VAL  20  -7.066   9.376   5.110
  412   1HG2  VAL  20          1HG2      VAL  20  -5.099   9.989   6.660
  413   2HG2  VAL  20          2HG2      VAL  20  -4.243  10.580   5.235
  414   3HG2  VAL  20          3HG2      VAL  20  -3.498   9.359   6.267
  415    H    SER  21           H        SER  21  -3.757   5.717   4.854
  416    HA   SER  21           HA       SER  21  -2.014   5.652   7.223
  417   1HB   SER  21          1HB       SER  21  -3.036   3.485   6.557
  418   2HB   SER  21          2HB       SER  21  -2.256   3.623   4.983
  419    HG   SER  21           HG       SER  21  -0.273   3.894   6.494
  420    H    GLY  22           H        GLY  22  -2.251   7.093   4.302
  421   1HA   GLY  22          1HA       GLY  22  -0.151   8.541   4.030
  422   2HA   GLY  22          2HA       GLY  22   0.642   6.992   3.780
  423    H    TYR  23           H        TYR  23   1.244   8.015   1.726
  424    HA   TYR  23           HA       TYR  23  -0.824   8.485  -0.230
  425   1HB   TYR  23          1HB       TYR  23   2.189   8.410  -0.478
  426   2HB   TYR  23          2HB       TYR  23   1.092   8.857  -1.778
  427    HD1  TYR  23           HD1      TYR  23   0.141  11.023  -1.893
  428    HD2  TYR  23           HD2      TYR  23   2.392   9.868   1.524
  429    HE1  TYR  23           HE1      TYR  23   0.208  13.364  -1.151
  430    HE2  TYR  23           HE2      TYR  23   2.462  12.205   2.278
  431    HH   TYR  23           HH       TYR  23   0.605  14.704   0.670
  432    H    HIS  24           H        HIS  24  -1.834   6.790  -1.120
  433    HA   HIS  24           HA       HIS  24  -0.129   4.618  -2.124
  434   1HB   HIS  24          1HB       HIS  24  -2.839   4.187  -0.856
  435   2HB   HIS  24          2HB       HIS  24  -1.815   2.948  -1.560
  436    HD1  HIS  24           HD1      HIS  24   0.859   3.646  -0.182
  437    HD2  HIS  24           HD2      HIS  24  -2.815   3.508   1.750
  438    HE1  HIS  24           HE1      HIS  24   1.381   3.171   2.231
  439    HE2  HIS  24           HE2      HIS  24  -0.876   2.759   3.284
  440    H    TYR  25           H        TYR  25  -0.227   4.776  -4.242
  441    HA   TYR  25           HA       TYR  25  -1.054   4.350  -6.301
  442   1HB   TYR  25          1HB       TYR  25  -3.762   4.057  -4.991
  443   2HB   TYR  25          2HB       TYR  25  -3.313   3.510  -6.604
  444    HD1  TYR  25           HD1      TYR  25  -1.445   1.744  -6.762
  445    HD2  TYR  25           HD2      TYR  25  -3.514   2.643  -3.157
  446    HE1  TYR  25           HE1      TYR  25  -0.733  -0.411  -5.818
  447    HE2  TYR  25           HE2      TYR  25  -2.808   0.492  -2.208
  448    HH   TYR  25           HH       TYR  25  -0.498  -1.556  -3.828
  449    H    GLY  26           H        GLY  26  -1.691   7.027  -4.583
  450   1HA   GLY  26          1HA       GLY  26  -2.015   8.732  -6.720
  451   2HA   GLY  26          2HA       GLY  26  -3.647   8.316  -6.213
  452    H    LEU  27           H        LEU  27  -3.783   8.368  -3.646
  453    HA   LEU  27           HA       LEU  27  -2.290  10.597  -2.570
  454   1HB   LEU  27          1HB       LEU  27  -4.376  11.753  -1.781
  455   2HB   LEU  27          2HB       LEU  27  -4.022  11.888  -3.482
  456    HG   LEU  27           HG       LEU  27  -6.431  11.666  -2.954
  457   1HD1  LEU  27          1HD1      LEU  27  -5.323   9.399  -4.593
  458   2HD1  LEU  27          2HD1      LEU  27  -5.616  11.046  -5.155
  459   3HD1  LEU  27          3HD1      LEU  27  -6.970  10.027  -4.666
  460   1HD2  LEU  27          1HD2      LEU  27  -5.740   8.862  -2.113
  461   2HD2  LEU  27          2HD2      LEU  27  -7.367   9.507  -2.335
  462   3HD2  LEU  27          3HD2      LEU  27  -6.328  10.154  -1.067
  463    H    LEU  28           H        LEU  28  -3.812  11.074  -0.334
  464    HA   LEU  28           HA       LEU  28  -2.981   9.117   1.459
  465   1HB   LEU  28          1HB       LEU  28  -5.260  11.062   1.773
  466   2HB   LEU  28          2HB       LEU  28  -4.405  10.254   3.072
  467    HG   LEU  28           HG       LEU  28  -3.051  12.152   1.170
  468   1HD1  LEU  28          1HD1      LEU  28  -4.785  13.395   2.216
  469   2HD1  LEU  28          2HD1      LEU  28  -3.280  13.783   3.054
  470   3HD1  LEU  28          3HD1      LEU  28  -4.436  12.675   3.787
  471   1HD2  LEU  28          1HD2      LEU  28  -1.583  10.623   2.386
  472   2HD2  LEU  28          2HD2      LEU  28  -2.317  11.118   3.910
  473   3HD2  LEU  28          3HD2      LEU  28  -1.387  12.279   2.962
  474    H    THR  29           H        THR  29  -3.661   7.070   1.485
  475    HA   THR  29           HA       THR  29  -6.545   6.598   1.678
  476    HB   THR  29           HB       THR  29  -6.161   4.450   0.337
  477    HG1  THR  29           HG1      THR  29  -4.182   5.609  -1.136
  478   1HG2  THR  29          1HG2      THR  29  -7.417   6.365  -0.550
  479   2HG2  THR  29          2HG2      THR  29  -6.467   5.579  -1.812
  480   3HG2  THR  29          3HG2      THR  29  -5.909   7.096  -1.104
  481    H    CYS  30           H        CYS  30  -7.038   4.472   2.659
  482    HA   CYS  30           HA       CYS  30  -5.144   3.913   4.796
  483   1HB   CYS  30          1HB       CYS  30  -6.968   2.663   5.824
  484   2HB   CYS  30          2HB       CYS  30  -7.540   4.252   5.326
  485    HG   CYS  30           HG       CYS  30  -9.605   2.457   4.838
  486    H    GLU  31           H        GLU  31  -4.993   1.523   5.454
  487    HA   GLU  31           HA       GLU  31  -3.877   0.075   3.287
  488   1HB   GLU  31          1HB       GLU  31  -4.457  -0.722   6.137
  489   2HB   GLU  31          2HB       GLU  31  -3.617  -1.756   4.987
  490   1HG   GLU  31          1HG       GLU  31  -2.716   0.942   5.971
  491   2HG   GLU  31          2HG       GLU  31  -2.020  -0.625   6.386
  492    H    SER  32           H        SER  32  -7.052   0.230   4.618
  493    HA   SER  32           HA       SER  32  -7.988  -2.259   3.620
  494   1HB   SER  32          1HB       SER  32  -9.204  -0.865   5.323
  495   2HB   SER  32          2HB       SER  32  -9.608   0.268   4.034
  496    HG   SER  32           HG       SER  32 -10.829  -2.018   4.707
  497    H    CYS  33           H        CYS  33  -7.977   1.055   2.316
  498    HA   CYS  33           HA       CYS  33  -9.087   0.470  -0.201
  499   1HB   CYS  33          1HB       CYS  33  -7.027   2.575   0.515
  500   2HB   CYS  33          2HB       CYS  33  -7.966   2.538  -0.971
  501    HG   CYS  33           HG       CYS  33  -9.245   3.005   2.173
  502    H    LYS  34           H        LYS  34  -5.736   0.700   0.872
  503    HA   LYS  34           HA       LYS  34  -4.487   0.048  -1.529
  504   1HB   LYS  34          1HB       LYS  34  -3.253   1.070   0.218
  505   2HB   LYS  34          2HB       LYS  34  -3.668  -0.198   1.356
  506   1HG   LYS  34          1HG       LYS  34  -2.170  -1.716   0.362
  507   2HG   LYS  34          2HG       LYS  34  -1.966  -0.694  -1.066
  508   1HD   LYS  34          1HD       LYS  34  -0.646   0.837   0.057
  509   2HD   LYS  34          2HD       LYS  34  -1.278   0.377   1.637
  510   1HE   LYS  34          1HE       LYS  34   0.474  -1.382  -0.066
  511   2HE   LYS  34          2HE       LYS  34   1.073  -0.329   1.216
  512   1HZ   LYS  34          1HZ       LYS  34   0.780  -2.558   2.038
  513   2HZ   LYS  34          2HZ       LYS  34  -0.837  -2.574   1.552
  514   3HZ   LYS  34          3HZ       LYS  34  -0.339  -1.531   2.793
  515    H    GLY  35           H        GLY  35  -5.431  -2.075   1.171
  516   1HA   GLY  35          1HA       GLY  35  -4.416  -4.463   0.080
  517   2HA   GLY  35          2HA       GLY  35  -5.696  -4.349   1.278
  518    H    PHE  36           H        PHE  36  -7.689  -3.083  -0.065
  519    HA   PHE  36           HA       PHE  36  -8.820  -5.169  -1.593
  520   1HB   PHE  36          1HB       PHE  36 -10.218  -3.624  -0.345
  521   2HB   PHE  36          2HB       PHE  36  -9.636  -2.269  -1.305
  522    HD1  PHE  36           HD1      PHE  36 -11.587  -5.412  -1.479
  523    HD2  PHE  36           HD2      PHE  36 -10.686  -1.677  -3.311
  524    HE1  PHE  36           HE1      PHE  36 -13.449  -5.739  -3.056
  525    HE2  PHE  36           HE2      PHE  36 -12.545  -1.997  -4.890
  526    HZ   PHE  36           HZ       PHE  36 -13.929  -4.030  -4.763
  527    H    PHE  37           H        PHE  37  -7.175  -2.191  -2.469
  528    HA   PHE  37           HA       PHE  37  -7.824  -2.167  -5.199
  529   1HB   PHE  37          1HB       PHE  37  -6.620  -0.401  -3.632
  530   2HB   PHE  37          2HB       PHE  37  -5.169  -1.159  -4.276
  531    HD1  PHE  37           HD1      PHE  37  -4.253  -0.274  -6.191
  532    HD2  PHE  37           HD2      PHE  37  -8.411   0.242  -5.461
  533    HE1  PHE  37           HE1      PHE  37  -4.429   1.133  -8.202
  534    HE2  PHE  37           HE2      PHE  37  -8.595   1.649  -7.469
  535    HZ   PHE  37           HZ       PHE  37  -6.602   2.096  -8.843
  536    H    LYS  38           H        LYS  38  -5.027  -3.556  -3.470
  537    HA   LYS  38           HA       LYS  38  -3.773  -4.642  -5.747
  538   1HB   LYS  38          1HB       LYS  38  -3.747  -5.804  -2.956
  539   2HB   LYS  38          2HB       LYS  38  -2.603  -6.157  -4.241
  540   1HG   LYS  38          1HG       LYS  38  -2.104  -3.631  -4.174
  541   2HG   LYS  38          2HG       LYS  38  -2.894  -3.682  -2.600
  542   1HD   LYS  38          1HD       LYS  38  -0.416  -5.150  -3.483
  543   2HD   LYS  38          2HD       LYS  38  -0.562  -3.937  -2.213
  544   1HE   LYS  38          1HE       LYS  38  -0.489  -5.842  -0.948
  545   2HE   LYS  38          2HE       LYS  38  -2.230  -5.698  -1.184
  546   1HZ   LYS  38          1HZ       LYS  38  -2.079  -7.290  -2.998
  547   2HZ   LYS  38          2HZ       LYS  38  -1.458  -7.962  -1.574
  548   3HZ   LYS  38          3HZ       LYS  38  -0.407  -7.419  -2.787
  549    H    ARG  39           H        ARG  39  -6.189  -5.981  -3.532
  550    HA   ARG  39           HA       ARG  39  -6.256  -8.572  -4.577
  551   1HB   ARG  39          1HB       ARG  39  -8.420  -6.978  -3.205
  552   2HB   ARG  39          2HB       ARG  39  -8.541  -8.698  -3.563
  553   1HG   ARG  39          1HG       ARG  39  -6.610  -9.147  -2.167
  554   2HG   ARG  39          2HG       ARG  39  -6.435  -7.424  -1.838
  555   1HD   ARG  39          1HD       ARG  39  -8.666  -7.425  -0.788
  556   2HD   ARG  39          2HD       ARG  39  -8.784  -9.160  -1.082
  557    HE   ARG  39           HE       ARG  39  -7.231  -7.834   0.961
  558   1HH1  ARG  39          1HH1      ARG  39  -7.733 -10.788  -0.860
  559   2HH1  ARG  39          2HH1      ARG  39  -6.909 -11.786   0.304
  560   1HH2  ARG  39          1HH2      ARG  39  -6.172  -9.170   2.506
  561   2HH2  ARG  39          2HH2      ARG  39  -6.033 -10.878   2.203
  562    H    THR  40           H        THR  40  -7.846  -5.630  -5.608
  563    HA   THR  40           HA       THR  40  -9.535  -6.954  -7.514
  564    HB   THR  40           HB       THR  40  -8.840  -4.020  -7.278
  565    HG1  THR  40           HG1      THR  40  -9.866  -4.686  -5.403
  566   1HG2  THR  40          1HG2      THR  40  -9.755  -4.609  -9.473
  567   2HG2  THR  40          2HG2      THR  40 -10.911  -3.659  -8.539
  568   3HG2  THR  40          3HG2      THR  40 -11.124  -5.402  -8.693
  569    H    VAL  41           H        VAL  41  -6.719  -4.760  -7.829
  570    HA   VAL  41           HA       VAL  41  -6.633  -4.973 -10.654
  571    HB   VAL  41           HB       VAL  41  -4.435  -4.073  -8.787
  572   1HG1  VAL  41          1HG1      VAL  41  -3.615  -4.578 -11.029
  573   2HG1  VAL  41          2HG1      VAL  41  -3.586  -2.841 -10.725
  574   3HG1  VAL  41          3HG1      VAL  41  -4.858  -3.539 -11.728
  575   1HG2  VAL  41          1HG2      VAL  41  -5.259  -1.809  -9.230
  576   2HG2  VAL  41          2HG2      VAL  41  -6.486  -2.802  -8.443
  577   3HG2  VAL  41          3HG2      VAL  41  -6.589  -2.480 -10.174
  578    H    GLN  42           H        GLN  42  -4.700  -6.532  -8.102
  579    HA   GLN  42           HA       GLN  42  -2.898  -7.777  -9.906
  580   1HB   GLN  42          1HB       GLN  42  -3.488  -8.013  -7.000
  581   2HB   GLN  42          2HB       GLN  42  -2.577  -9.308  -7.764
  582   1HG   GLN  42          1HG       GLN  42  -0.834  -7.850  -8.387
  583   2HG   GLN  42          2HG       GLN  42  -1.799  -6.422  -8.026
  584   1HE2  GLN  42          1HE2      GLN  42  -0.071  -5.693  -6.719
  585   2HE2  GLN  42          2HE2      GLN  42   0.175  -6.333  -5.135
  586    H    ASN  43           H        ASN  43  -5.975  -8.773  -8.548
  587    HA   ASN  43           HA       ASN  43  -5.692 -11.416  -9.749
  588   1HB   ASN  43          1HB       ASN  43  -7.852 -10.191  -8.034
  589   2HB   ASN  43          2HB       ASN  43  -8.038 -11.758  -8.813
  590   1HD2  ASN  43          1HD2      ASN  43  -6.559  -9.992  -6.264
  591   2HD2  ASN  43          2HD2      ASN  43  -5.835 -11.344  -5.461
  592    H    ASN  44           H        ASN  44  -6.409  -8.464 -10.864
  593    HA   ASN  44           HA       ASN  44  -7.538  -7.579 -12.621
  594   1HB   ASN  44          1HB       ASN  44  -7.236 -10.436 -13.553
  595   2HB   ASN  44          2HB       ASN  44  -7.903  -9.167 -14.574
  596   1HD2  ASN  44          1HD2      ASN  44  -5.069 -10.438 -13.078
  597   2HD2  ASN  44          2HD2      ASN  44  -3.920  -9.431 -13.893
  598    H    LYS  45           H        LYS  45  -9.155  -7.990 -10.526
  599    HA   LYS  45           HA       LYS  45 -11.419  -9.623 -11.191
  600   1HB   LYS  45          1HB       LYS  45 -10.949  -7.642  -8.967
  601   2HB   LYS  45          2HB       LYS  45 -12.417  -8.596  -9.132
  602   1HG   LYS  45          1HG       LYS  45 -10.954 -10.641  -9.068
  603   2HG   LYS  45          2HG       LYS  45  -9.629  -9.570  -8.605
  604   1HD   LYS  45          1HD       LYS  45 -10.844  -8.862  -6.637
  605   2HD   LYS  45          2HD       LYS  45 -12.241  -9.827  -7.119
  606   1HE   LYS  45          1HE       LYS  45  -9.505 -10.870  -6.406
  607   2HE   LYS  45          2HE       LYS  45 -10.953 -10.974  -5.408
  608   1HZ   LYS  45          1HZ       LYS  45 -11.978 -12.368  -7.097
  609   2HZ   LYS  45          2HZ       LYS  45 -10.520 -13.048  -6.567
  610   3HZ   LYS  45          3HZ       LYS  45 -10.591 -12.258  -8.067
  611    H    HIS  46           H        HIS  46 -13.554  -8.894 -11.416
  612    HA   HIS  46           HA       HIS  46 -13.909  -6.114 -12.228
  613   1HB   HIS  46          1HB       HIS  46 -15.451  -6.954 -14.082
  614   2HB   HIS  46          2HB       HIS  46 -13.723  -7.106 -14.345
  615    HD1  HIS  46           HD1      HIS  46 -14.087  -8.944 -16.093
  616    HD2  HIS  46           HD2      HIS  46 -15.512  -9.922 -12.307
  617    HE1  HIS  46           HE1      HIS  46 -14.527 -11.416 -16.149
  618    HE2  HIS  46           HE2      HIS  46 -15.172 -12.017 -13.791
  619    H    TYR  47           H        TYR  47 -16.020  -5.301 -11.920
  620    HA   TYR  47           HA       TYR  47 -17.723  -6.994 -10.227
  621   1HB   TYR  47          1HB       TYR  47 -16.997  -4.129  -9.579
  622   2HB   TYR  47          2HB       TYR  47 -18.010  -5.201  -8.619
  623    HD1  TYR  47           HD1      TYR  47 -16.876  -7.354  -7.717
  624    HD2  TYR  47           HD2      TYR  47 -14.734  -3.962  -9.128
  625    HE1  TYR  47           HE1      TYR  47 -14.896  -8.090  -6.462
  626    HE2  TYR  47           HE2      TYR  47 -12.749  -4.687  -7.878
  627    HH   TYR  47           HH       TYR  47 -12.102  -6.067  -6.084
  628    H    THR  48           H        THR  48 -19.877  -5.910  -9.832
  629    HA   THR  48           HA       THR  48 -20.726  -3.997 -11.823
  630    HB   THR  48           HB       THR  48 -21.856  -6.807 -11.862
  631    HG1  THR  48           HG1      THR  48 -19.800  -5.835 -13.142
  632   1HG2  THR  48          1HG2      THR  48 -23.613  -5.127 -12.145
  633   2HG2  THR  48          2HG2      THR  48 -23.316  -5.987 -13.656
  634   3HG2  THR  48          3HG2      THR  48 -22.681  -4.357 -13.428
  635    H    CYS  49           H        CYS  49 -22.097  -2.688 -10.831
  636    HA   CYS  49           HA       CYS  49 -23.510  -3.654  -8.457
  637   1HB   CYS  49          1HB       CYS  49 -22.165  -1.631  -8.163
  638   2HB   CYS  49          2HB       CYS  49 -23.040  -0.840  -9.469
  639    HG   CYS  49           HG       CYS  49 -24.668  -1.935  -6.677
  640    H    THR  50           H        THR  50 -25.709  -3.658  -8.312
  641    HA   THR  50           HA       THR  50 -27.120  -3.446 -10.860
  642    HB   THR  50           HB       THR  50 -28.138  -4.584  -8.248
  643    HG1  THR  50           HG1      THR  50 -26.762  -5.842 -10.421
  644   1HG2  THR  50          1HG2      THR  50 -29.877  -4.079  -9.902
  645   2HG2  THR  50          2HG2      THR  50 -29.690  -5.820  -9.693
  646   3HG2  THR  50          3HG2      THR  50 -29.008  -5.023 -11.111
  647    H    GLU  51           H        GLU  51 -26.656  -1.665  -8.016
  648    HA   GLU  51           HA       GLU  51 -29.261  -0.454  -7.918
  649   1HB   GLU  51          1HB       GLU  51 -26.667   0.207  -6.533
  650   2HB   GLU  51          2HB       GLU  51 -28.153   1.113  -6.286
  651   1HG   GLU  51          1HG       GLU  51 -27.844  -1.834  -5.777
  652   2HG   GLU  51          2HG       GLU  51 -27.722  -0.577  -4.544
  653    H    SER  52           H        SER  52 -26.208   1.358  -8.118
  654    HA   SER  52           HA       SER  52 -27.233   2.758 -10.475
  655   1HB   SER  52          1HB       SER  52 -28.014   3.923  -8.358
  656   2HB   SER  52          2HB       SER  52 -26.321   4.260  -8.010
  657    HG   SER  52           HG       SER  52 -27.601   5.016 -10.432
  658    H    GLN  53           H        GLN  53 -24.925   0.972  -9.550
  659    HA   GLN  53           HA       GLN  53 -22.760   0.631 -10.099
  660   1HB   GLN  53          1HB       GLN  53 -23.092   3.170 -11.693
  661   2HB   GLN  53          2HB       GLN  53 -21.632   2.190 -11.709
  662   1HG   GLN  53          1HG       GLN  53 -23.016   0.271 -12.492
  663   2HG   GLN  53          2HG       GLN  53 -24.379   1.381 -12.628
  664   1HE2  GLN  53          1HE2      GLN  53 -24.377   2.935 -14.251
  665   2HE2  GLN  53          2HE2      GLN  53 -23.294   2.858 -15.595
  666    H    SER  54           H        SER  54 -23.543   3.850  -8.944
  667    HA   SER  54           HA       SER  54 -21.194   3.675  -7.197
  668   1HB   SER  54          1HB       SER  54 -22.268   6.220  -8.443
  669   2HB   SER  54          2HB       SER  54 -20.888   6.093  -7.350
  670    HG   SER  54           HG       SER  54 -20.265   4.442  -9.181
  671    H    CYS  55           H        CYS  55 -22.466   2.818  -5.588
  672    HA   CYS  55           HA       CYS  55 -24.761   4.304  -4.612
  673   1HB   CYS  55          1HB       CYS  55 -23.462   1.818  -3.482
  674   2HB   CYS  55          2HB       CYS  55 -25.053   2.455  -3.072
  675    HG   CYS  55           HG       CYS  55 -24.525   0.132  -5.087
  676    H    LYS  56           H        LYS  56 -24.756   4.185  -2.016
  677    HA   LYS  56           HA       LYS  56 -22.916   6.097  -1.079
  678   1HB   LYS  56          1HB       LYS  56 -24.655   4.149   0.454
  679   2HB   LYS  56          2HB       LYS  56 -23.845   5.545   1.151
  680   1HG   LYS  56          1HG       LYS  56 -25.190   7.051  -0.117
  681   2HG   LYS  56          2HG       LYS  56 -25.882   5.724  -1.053
  682   1HD   LYS  56          1HD       LYS  56 -27.002   4.867   0.893
  683   2HD   LYS  56          2HD       LYS  56 -26.193   6.046   1.928
  684   1HE   LYS  56          1HE       LYS  56 -28.075   6.746  -0.320
  685   2HE   LYS  56          2HE       LYS  56 -28.543   6.637   1.377
  686   1HZ   LYS  56          1HZ       LYS  56 -26.948   8.385   1.887
  687   2HZ   LYS  56          2HZ       LYS  56 -28.085   8.919   0.748
  688   3HZ   LYS  56          3HZ       LYS  56 -26.516   8.500   0.252
  689    H    ILE  57           H        ILE  57 -21.032   5.881   0.090
  690    HA   ILE  57           HA       ILE  57 -19.965   3.148   0.254
  691    HB   ILE  57           HB       ILE  57 -18.421   5.745   0.328
  692   1HG1  ILE  57          1HG1      ILE  57 -19.468   5.334  -1.872
  693   2HG1  ILE  57          2HG1      ILE  57 -17.716   5.197  -1.946
  694   1HG2  ILE  57          1HG2      ILE  57 -16.461   4.301   0.021
  695   2HG2  ILE  57          2HG2      ILE  57 -17.500   2.880   0.123
  696   3HG2  ILE  57          3HG2      ILE  57 -17.314   3.938   1.522
  697   1HD1  ILE  57          1HD1      ILE  57 -17.913   2.760  -1.890
  698   2HD1  ILE  57          2HD1      ILE  57 -18.787   3.460  -3.253
  699   3HD1  ILE  57          3HD1      ILE  57 -19.668   2.910  -1.827
  700    H    ASP  58           H        ASP  58 -19.741   2.260   2.154
  701    HA   ASP  58           HA       ASP  58 -19.404   3.813   4.575
  702   1HB   ASP  58          1HB       ASP  58 -21.877   3.763   4.165
  703   2HB   ASP  58          2HB       ASP  58 -21.810   2.007   4.193
  704    H    LYS  59           H        LYS  59 -19.614   2.020   6.472
  705    HA   LYS  59           HA       LYS  59 -17.379   0.369   6.154
  706   1HB   LYS  59          1HB       LYS  59 -19.610   0.246   8.189
  707   2HB   LYS  59          2HB       LYS  59 -18.088  -0.626   8.321
  708   1HG   LYS  59          1HG       LYS  59 -16.854   1.402   8.507
  709   2HG   LYS  59          2HG       LYS  59 -18.274   2.369   8.109
  710   1HD   LYS  59          1HD       LYS  59 -18.003   0.627  10.558
  711   2HD   LYS  59          2HD       LYS  59 -17.733   2.370  10.528
  712   1HE   LYS  59          1HE       LYS  59 -20.065   2.666   9.734
  713   2HE   LYS  59          2HE       LYS  59 -20.310   0.929   9.909
  714   1HZ   LYS  59          1HZ       LYS  59 -19.887   1.120  12.265
  715   2HZ   LYS  59          2HZ       LYS  59 -21.128   2.190  11.822
  716   3HZ   LYS  59          3HZ       LYS  59 -19.566   2.778  12.112
  717    H    THR  60           H        THR  60 -20.837  -0.364   5.983
  718    HA   THR  60           HA       THR  60 -20.276  -3.139   5.329
  719    HB   THR  60           HB       THR  60 -22.186  -2.692   6.775
  720    HG1  THR  60           HG1      THR  60 -23.261  -4.268   5.857
  721   1HG2  THR  60          1HG2      THR  60 -23.342  -1.178   4.430
  722   2HG2  THR  60          2HG2      THR  60 -22.817  -0.481   5.963
  723   3HG2  THR  60          3HG2      THR  60 -24.200  -1.574   5.920
  724    H    GLN  61           H        GLN  61 -21.320  -0.189   3.720
  725    HA   GLN  61           HA       GLN  61 -22.279  -1.348   1.345
  726   1HB   GLN  61          1HB       GLN  61 -21.127   1.395   1.832
  727   2HB   GLN  61          2HB       GLN  61 -22.022   0.920   0.397
  728   1HG   GLN  61          1HG       GLN  61 -23.162   0.790   3.171
  729   2HG   GLN  61          2HG       GLN  61 -23.307   2.198   2.128
  730   1HE2  GLN  61          1HE2      GLN  61 -24.369  -1.018   2.755
  731   2HE2  GLN  61          2HE2      GLN  61 -25.647  -1.056   1.585
  732    H    ARG  62           H        ARG  62 -19.045  -0.470   2.371
  733    HA   ARG  62           HA       ARG  62 -17.846  -0.508  -0.198
  734   1HB   ARG  62          1HB       ARG  62 -15.706  -0.624   1.021
  735   2HB   ARG  62          2HB       ARG  62 -16.767   0.627   1.652
  736   1HG   ARG  62          1HG       ARG  62 -17.446  -0.977   3.450
  737   2HG   ARG  62          2HG       ARG  62 -16.180  -2.060   2.867
  738   1HD   ARG  62          1HD       ARG  62 -14.490  -0.401   3.332
  739   2HD   ARG  62          2HD       ARG  62 -15.722   0.777   3.781
  740    HE   ARG  62           HE       ARG  62 -16.028  -1.484   5.404
  741   1HH1  ARG  62          1HH1      ARG  62 -13.746   1.101   4.865
  742   2HH1  ARG  62          2HH1      ARG  62 -13.156   1.120   6.495
  743   1HH2  ARG  62          1HH2      ARG  62 -15.248  -1.483   7.570
  744   2HH2  ARG  62          2HH2      ARG  62 -14.009  -0.355   8.037
  745    H    LYS  63           H        LYS  63 -18.946  -3.001   1.836
  746    HA   LYS  63           HA       LYS  63 -17.353  -5.034   0.467
  747   1HB   LYS  63          1HB       LYS  63 -19.450  -5.338   2.628
  748   2HB   LYS  63          2HB       LYS  63 -18.443  -6.626   1.987
  749   1HG   LYS  63          1HG       LYS  63 -16.450  -5.448   2.841
  750   2HG   LYS  63          2HG       LYS  63 -17.510  -4.233   3.554
  751   1HD   LYS  63          1HD       LYS  63 -16.869  -5.864   5.234
  752   2HD   LYS  63          2HD       LYS  63 -18.597  -5.991   4.895
  753   1HE   LYS  63          1HE       LYS  63 -18.127  -7.885   3.381
  754   2HE   LYS  63          2HE       LYS  63 -16.421  -7.776   3.807
  755   1HZ   LYS  63          1HZ       LYS  63 -17.484  -9.494   5.081
  756   2HZ   LYS  63          2HZ       LYS  63 -18.663  -8.414   5.653
  757   3HZ   LYS  63          3HZ       LYS  63 -17.044  -8.232   6.122
  758    H    ARG  64           H        ARG  64 -20.664  -3.916   0.865
  759    HA   ARG  64           HA       ARG  64 -21.924  -5.925  -0.667
  760   1HB   ARG  64          1HB       ARG  64 -22.837  -3.094  -0.130
  761   2HB   ARG  64          2HB       ARG  64 -23.850  -4.405  -0.715
  762   1HG   ARG  64          1HG       ARG  64 -23.435  -5.628   1.383
  763   2HG   ARG  64          2HG       ARG  64 -22.493  -4.253   1.969
  764   1HD   ARG  64          1HD       ARG  64 -24.467  -2.818   1.725
  765   2HD   ARG  64          2HD       ARG  64 -25.402  -4.208   1.179
  766    HE   ARG  64           HE       ARG  64 -24.147  -4.290   3.830
  767   1HH1  ARG  64          1HH1      ARG  64 -27.023  -4.107   1.839
  768   2HH1  ARG  64          2HH1      ARG  64 -28.114  -4.446   3.150
  769   1HH2  ARG  64          1HH2      ARG  64 -25.581  -4.761   5.565
  770   2HH2  ARG  64          2HH2      ARG  64 -27.292  -4.847   5.259
  771    H    CYS  65           H        CYS  65 -20.730  -2.698  -1.485
  772    HA   CYS  65           HA       CYS  65 -21.009  -3.416  -4.325
  773   1HB   CYS  65          1HB       CYS  65 -21.322  -0.728  -2.992
  774   2HB   CYS  65          2HB       CYS  65 -21.117  -0.917  -4.730
  775    HG   CYS  65           HG       CYS  65 -23.808  -1.612  -2.798
  776    HA   PRO  66           HA       PRO  66 -16.486  -2.874  -3.535
  777   1HB   PRO  66          1HB       PRO  66 -15.776  -4.829  -5.314
  778   2HB   PRO  66          2HB       PRO  66 -16.085  -5.128  -3.601
  779   1HG   PRO  66          1HG       PRO  66 -17.872  -5.561  -5.954
  780   2HG   PRO  66          2HG       PRO  66 -17.640  -6.576  -4.519
  781   1HD   PRO  66          1HD       PRO  66 -19.774  -4.941  -4.821
  782   2HD   PRO  66          2HD       PRO  66 -19.063  -5.301  -3.234
  783    H    PHE  67           H        PHE  67 -18.505  -3.131  -6.378
  784    HA   PHE  67           HA       PHE  67 -16.714  -2.035  -8.266
  785   1HB   PHE  67          1HB       PHE  67 -18.817  -3.230  -8.849
  786   2HB   PHE  67          2HB       PHE  67 -19.739  -1.868  -8.227
  787    HD1  PHE  67           HD1      PHE  67 -17.027  -2.592 -10.684
  788    HD2  PHE  67           HD2      PHE  67 -20.463  -0.275  -9.716
  789    HE1  PHE  67           HE1      PHE  67 -16.934  -1.534 -12.903
  790    HE2  PHE  67           HE2      PHE  67 -20.374   0.787 -11.933
  791    HZ   PHE  67           HZ       PHE  67 -18.609   0.157 -13.530
  792    H    CYS  68           H        CYS  68 -19.287  -0.544  -6.313
  793    HA   CYS  68           HA       CYS  68 -18.888   2.102  -7.152
  794   1HB   CYS  68          1HB       CYS  68 -19.839   1.195  -4.426
  795   2HB   CYS  68          2HB       CYS  68 -20.187   2.732  -5.213
  796    HG   CYS  68           HG       CYS  68 -21.416   1.072  -7.410
  797    H    ARG  69           H        ARG  69 -17.512   0.237  -4.509
  798    HA   ARG  69           HA       ARG  69 -15.981   2.237  -3.293
  799   1HB   ARG  69          1HB       ARG  69 -16.416   0.062  -2.271
  800   2HB   ARG  69          2HB       ARG  69 -15.477  -0.734  -3.523
  801   1HG   ARG  69          1HG       ARG  69 -13.469   0.447  -2.734
  802   2HG   ARG  69          2HG       ARG  69 -14.432   1.167  -1.439
  803   1HD   ARG  69          1HD       ARG  69 -14.973  -1.078  -0.612
  804   2HD   ARG  69          2HD       ARG  69 -13.981  -1.779  -1.890
  805    HE   ARG  69           HE       ARG  69 -12.339  -0.036  -0.530
  806   1HH1  ARG  69          1HH1      ARG  69 -14.196  -2.906   0.211
  807   2HH1  ARG  69          2HH1      ARG  69 -13.126  -3.428   1.475
  808   1HH2  ARG  69          1HH2      ARG  69 -10.936  -0.711   1.145
  809   2HH2  ARG  69          2HH2      ARG  69 -11.282  -2.161   2.026
  810    H    PHE  70           H        PHE  70 -15.051  -0.175  -5.732
  811    HA   PHE  70           HA       PHE  70 -12.409   0.670  -6.105
  812   1HB   PHE  70          1HB       PHE  70 -13.245  -1.497  -6.866
  813   2HB   PHE  70          2HB       PHE  70 -14.301  -0.704  -8.027
  814    HD1  PHE  70           HD1      PHE  70 -13.594  -0.441 -10.195
  815    HD2  PHE  70           HD2      PHE  70 -10.698  -1.011  -7.131
  816    HE1  PHE  70           HE1      PHE  70 -11.828  -0.582 -11.898
  817    HE2  PHE  70           HE2      PHE  70  -8.923  -1.150  -8.830
  818    HZ   PHE  70           HZ       PHE  70  -9.487  -0.935 -11.218
  819    H    GLN  71           H        GLN  71 -15.376   1.541  -7.852
  820    HA   GLN  71           HA       GLN  71 -14.234   3.185  -9.784
  821   1HB   GLN  71          1HB       GLN  71 -16.946   3.256  -8.475
  822   2HB   GLN  71          2HB       GLN  71 -16.497   4.365  -9.764
  823   1HG   GLN  71          1HG       GLN  71 -16.535   1.362  -9.959
  824   2HG   GLN  71          2HG       GLN  71 -17.755   2.457 -10.605
  825   1HE2  GLN  71          1HE2      GLN  71 -15.769   4.440 -11.451
  826   2HE2  GLN  71          2HE2      GLN  71 -15.007   3.770 -12.856
  827    H    LYS  72           H        LYS  72 -15.295   4.008  -6.479
  828    HA   LYS  72           HA       LYS  72 -14.691   6.769  -6.848
  829   1HB   LYS  72          1HB       LYS  72 -16.333   6.029  -5.157
  830   2HB   LYS  72          2HB       LYS  72 -15.021   5.307  -4.226
  831   1HG   LYS  72          1HG       LYS  72 -14.033   7.414  -3.801
  832   2HG   LYS  72          2HG       LYS  72 -15.066   8.215  -4.984
  833   1HD   LYS  72          1HD       LYS  72 -15.934   7.011  -2.357
  834   2HD   LYS  72          2HD       LYS  72 -15.794   8.728  -2.743
  835   1HE   LYS  72          1HE       LYS  72 -17.496   8.336  -4.561
  836   2HE   LYS  72          2HE       LYS  72 -17.751   6.737  -3.862
  837   1HZ   LYS  72          1HZ       LYS  72 -18.240   9.368  -2.587
  838   2HZ   LYS  72          2HZ       LYS  72 -18.229   7.915  -1.717
  839   3HZ   LYS  72          3HZ       LYS  72 -19.378   8.158  -2.942
  840    H    CYS  73           H        CYS  73 -12.840   3.994  -5.797
  841    HA   CYS  73           HA       CYS  73 -10.619   5.310  -4.730
  842   1HB   CYS  73          1HB       CYS  73 -10.664   2.816  -6.452
  843   2HB   CYS  73          2HB       CYS  73  -9.300   3.347  -5.473
  844    HG   CYS  73           HG       CYS  73 -12.357   2.479  -4.200
  845    H    LEU  74           H        LEU  74 -11.252   4.381  -8.134
  846    HA   LEU  74           HA       LEU  74  -9.085   5.881  -9.177
  847   1HB   LEU  74          1HB       LEU  74 -11.623   4.844 -10.416
  848   2HB   LEU  74          2HB       LEU  74 -10.457   5.768 -11.333
  849    HG   LEU  74           HG       LEU  74  -8.745   4.011 -10.648
  850   1HD1  LEU  74          1HD1      LEU  74  -9.683   1.798 -10.141
  851   2HD1  LEU  74          2HD1      LEU  74 -11.269   2.548  -9.948
  852   3HD1  LEU  74          3HD1      LEU  74  -9.952   2.974  -8.856
  853   1HD2  LEU  74          1HD2      LEU  74 -11.043   3.222 -12.425
  854   2HD2  LEU  74          2HD2      LEU  74  -9.432   2.504 -12.442
  855   3HD2  LEU  74          3HD2      LEU  74  -9.651   4.194 -12.899
  856    H    THR  75           H        THR  75 -12.362   6.679  -8.333
  857    HA   THR  75           HA       THR  75 -12.684   9.132  -9.617
  858    HB   THR  75           HB       THR  75 -13.784   8.097  -7.005
  859    HG1  THR  75           HG1      THR  75 -14.371   7.086  -9.060
  860   1HG2  THR  75          1HG2      THR  75 -15.424   9.865  -7.031
  861   2HG2  THR  75          2HG2      THR  75 -14.740  10.526  -8.519
  862   3HG2  THR  75          3HG2      THR  75 -13.807  10.574  -7.021
  863    H    VAL  76           H        VAL  76 -11.347   8.447  -6.373
  864    HA   VAL  76           HA       VAL  76 -10.968  11.212  -5.791
  865    HB   VAL  76           HB       VAL  76  -9.759  10.491  -3.796
  866   1HG1  VAL  76          1HG1      VAL  76 -12.194  10.549  -3.762
  867   2HG1  VAL  76          2HG1      VAL  76 -11.578   9.263  -2.726
  868   3HG1  VAL  76          3HG1      VAL  76 -12.250   8.873  -4.310
  869   1HG2  VAL  76          1HG2      VAL  76  -8.543   8.588  -4.713
  870   2HG2  VAL  76          2HG2      VAL  76 -10.055   7.697  -4.897
  871   3HG2  VAL  76          3HG2      VAL  76  -9.467   8.113  -3.287
  872    H    GLY  77           H        GLY  77  -9.034   8.818  -7.398
  873   1HA   GLY  77          1HA       GLY  77  -7.443  10.139  -8.905
  874   2HA   GLY  77          2HA       GLY  77  -6.774  10.711  -7.389
  875    H    MET  78           H        MET  78  -7.726   7.503  -7.028
  876    HA   MET  78           HA       MET  78  -5.003   6.610  -7.020
  877   1HB   MET  78          1HB       MET  78  -7.571   5.044  -6.708
  878   2HB   MET  78          2HB       MET  78  -5.957   4.416  -6.408
  879   1HG   MET  78          1HG       MET  78  -5.642   5.975  -4.595
  880   2HG   MET  78          2HG       MET  78  -7.201   6.724  -4.933
  881   1HE   MET  78          1HE       MET  78  -5.366   3.487  -3.691
  882   2HE   MET  78          2HE       MET  78  -6.322   2.918  -5.059
  883   3HE   MET  78          3HE       MET  78  -6.726   2.397  -3.422
  884    H    ARG  79           H        ARG  79  -3.939   5.404  -8.491
  885    HA   ARG  79           HA       ARG  79  -5.354   4.881 -11.021
  886   1HB   ARG  79          1HB       ARG  79  -2.466   5.683 -10.624
  887   2HB   ARG  79          2HB       ARG  79  -3.218   5.315 -12.171
  888   1HG   ARG  79          1HG       ARG  79  -3.872   7.613 -10.342
  889   2HG   ARG  79          2HG       ARG  79  -3.076   7.692 -11.915
  890   1HD   ARG  79          1HD       ARG  79  -5.089   6.895 -13.006
  891   2HD   ARG  79          2HD       ARG  79  -5.884   6.704 -11.445
  892    HE   ARG  79           HE       ARG  79  -5.021   9.333 -12.468
  893   1HH1  ARG  79          1HH1      ARG  79  -7.387   7.250 -10.948
  894   2HH1  ARG  79          2HH1      ARG  79  -8.561   8.516 -10.741
  895   1HH2  ARG  79          1HH2      ARG  79  -6.533  10.990 -12.205
  896   2HH2  ARG  79          2HH2      ARG  79  -8.074  10.666 -11.459
  897    H    LEU  80           H        LEU  80  -4.760   3.089 -12.226
  898    HA   LEU  80           HA       LEU  80  -4.169   0.774 -10.637
  899   1HB   LEU  80          1HB       LEU  80  -4.432   0.952 -13.635
  900   2HB   LEU  80          2HB       LEU  80  -4.651  -0.467 -12.630
  901    HG   LEU  80           HG       LEU  80  -6.449   1.953 -12.545
  902   1HD1  LEU  80          1HD1      LEU  80  -6.868  -0.696 -13.914
  903   2HD1  LEU  80          2HD1      LEU  80  -6.536   0.839 -14.719
  904   3HD1  LEU  80          3HD1      LEU  80  -8.034   0.625 -13.811
  905   1HD2  LEU  80          1HD2      LEU  80  -6.765  -0.820 -11.402
  906   2HD2  LEU  80          2HD2      LEU  80  -7.956   0.480 -11.320
  907   3HD2  LEU  80          3HD2      LEU  80  -6.412   0.642 -10.481
  908    H    GLU  81           H        GLU  81  -2.527   2.778 -12.943
  909    HA   GLU  81           HA       GLU  81  -0.356   1.203 -13.664
  910   1HB   GLU  81          1HB       GLU  81  -0.372   4.183 -13.175
  911   2HB   GLU  81          2HB       GLU  81   0.829   3.303 -14.107
  912   1HG   GLU  81          1HG       GLU  81  -0.851   2.686 -15.736
  913   2HG   GLU  81          2HG       GLU  81  -2.091   3.507 -14.788
  914    H    ALA  82           H        ALA  82  -1.003   2.770 -10.640
  915    HA   ALA  82           HA       ALA  82   1.678   2.831  -9.676
  916   1HB   ALA  82          1HB       ALA  82  -0.913   2.879  -8.132
  917   2HB   ALA  82          2HB       ALA  82  -0.079   4.290  -8.784
  918   3HB   ALA  82          3HB       ALA  82   0.677   3.327  -7.514
  919    H    VAL  83           H        VAL  83  -0.805   0.436  -9.841
  920    HA   VAL  83           HA       VAL  83   0.322  -1.299  -7.838
  921    HB   VAL  83           HB       VAL  83  -1.688  -1.976  -9.994
  922   1HG1  VAL  83          1HG1      VAL  83  -0.626  -3.937  -9.019
  923   2HG1  VAL  83          2HG1      VAL  83  -2.312  -3.825  -8.514
  924   3HG1  VAL  83          3HG1      VAL  83  -1.025  -3.364  -7.399
  925   1HG2  VAL  83          1HG2      VAL  83  -2.501  -0.150  -8.615
  926   2HG2  VAL  83          2HG2      VAL  83  -2.162  -1.085  -7.160
  927   3HG2  VAL  83          3HG2      VAL  83  -3.399  -1.632  -8.291
  928    H    ARG  84           H        ARG  84   2.336  -2.033  -8.299
  929    HA   ARG  84           HA       ARG  84   2.914  -3.077 -10.944
  930   1HB   ARG  84          1HB       ARG  84   4.607  -3.248  -8.442
  931   2HB   ARG  84          2HB       ARG  84   5.132  -3.567 -10.089
  932   1HG   ARG  84          1HG       ARG  84   4.542  -1.149 -10.590
  933   2HG   ARG  84          2HG       ARG  84   4.418  -0.930  -8.843
  934   1HD   ARG  84          1HD       ARG  84   6.737  -1.840  -8.650
  935   2HD   ARG  84          2HD       ARG  84   6.835  -1.818 -10.408
  936    HE   ARG  84           HE       ARG  84   6.890   0.467  -8.610
  937   1HH1  ARG  84          1HH1      ARG  84   6.634  -0.675 -11.903
  938   2HH1  ARG  84          2HH1      ARG  84   7.241   0.789 -12.611
  939   1HH2  ARG  84          1HH2      ARG  84   7.697   2.413  -9.530
  940   2HH2  ARG  84          2HH2      ARG  84   7.872   2.541 -11.254
  941    H    ALA  85           H        ALA  85   1.335  -4.665 -11.087
  942    HA   ALA  85           HA       ALA  85   0.693  -6.476  -9.030
  943   1HB   ALA  85          1HB       ALA  85   0.129  -6.725 -11.974
  944   2HB   ALA  85          2HB       ALA  85  -0.850  -5.832 -10.811
  945   3HB   ALA  85          3HB       ALA  85  -0.692  -7.583 -10.671
  946    H    ASP  86           H        ASP  86   3.415  -6.505 -10.970
  947    HA   ASP  86           HA       ASP  86   3.773  -9.278 -11.373
  948   1HB   ASP  86          1HB       ASP  86   5.131  -7.484 -12.472
  949   2HB   ASP  86          2HB       ASP  86   5.920  -7.188 -10.926
  950    H    ARG  87           H        ARG  87   6.116  -7.711  -9.338
  951    HA   ARG  87           HA       ARG  87   5.045  -8.654  -6.853
  952   1HB   ARG  87          1HB       ARG  87   6.135 -10.700  -7.897
  953   2HB   ARG  87          2HB       ARG  87   7.668  -9.854  -7.776
  954   1HG   ARG  87          1HG       ARG  87   7.435 -11.393  -5.941
  955   2HG   ARG  87          2HG       ARG  87   7.391  -9.738  -5.333
  956   1HD   ARG  87          1HD       ARG  87   5.705 -11.065  -4.218
  957   2HD   ARG  87          2HD       ARG  87   4.931  -9.857  -5.241
  958    HE   ARG  87           HE       ARG  87   5.041 -12.045  -6.847
  959   1HH1  ARG  87          1HH1      ARG  87   3.882 -11.563  -3.576
  960   2HH1  ARG  87          2HH1      ARG  87   2.597 -12.722  -3.717
  961   1HH2  ARG  87          1HH2      ARG  87   3.380 -13.614  -7.025
  962   2HH2  ARG  87          2HH2      ARG  87   2.322 -13.902  -5.673
  963    H    MET  88           H        MET  88   5.924  -6.189  -8.155
  964    HA   MET  88           HA       MET  88   8.415  -5.489  -6.821
  965   1HB   MET  88          1HB       MET  88   6.696  -4.112  -8.862
  966   2HB   MET  88          2HB       MET  88   7.950  -3.239  -7.992
  967   1HG   MET  88          1HG       MET  88   8.398  -5.708  -9.641
  968   2HG   MET  88          2HG       MET  88   8.680  -4.057 -10.193
  969   1HE   MET  88          1HE       MET  88  10.973  -6.060 -10.515
  970   2HE   MET  88          2HE       MET  88  12.345  -5.210  -9.804
  971   3HE   MET  88          3HE       MET  88  11.185  -4.332 -10.802
  972    H    ARG  89           H        ARG  89   8.408  -4.707  -4.880
  973    HA   ARG  89           HA       ARG  89   5.866  -3.997  -3.651
  974   1HB   ARG  89          1HB       ARG  89   8.578  -4.495  -2.403
  975   2HB   ARG  89          2HB       ARG  89   7.043  -4.376  -1.548
  976   1HG   ARG  89          1HG       ARG  89   6.245  -6.390  -2.534
  977   2HG   ARG  89          2HG       ARG  89   7.609  -6.454  -3.647
  978   1HD   ARG  89          1HD       ARG  89   7.997  -8.046  -1.917
  979   2HD   ARG  89          2HD       ARG  89   9.113  -6.704  -1.678
  980    HE   ARG  89           HE       ARG  89   7.604  -5.935   0.107
  981   1HH1  ARG  89          1HH1      ARG  89   7.283  -9.242  -0.993
  982   2HH1  ARG  89          2HH1      ARG  89   6.719  -9.831   0.539
  983   1HH2  ARG  89          1HH2      ARG  89   6.871  -6.721   2.139
  984   2HH2  ARG  89          2HH2      ARG  89   6.487  -8.406   2.323
  985    H    GLY  90           H        GLY  90   7.006  -2.066  -5.402
  986   1HA   GLY  90          1HA       GLY  90   6.961   0.214  -3.652
  987   2HA   GLY  90          2HA       GLY  90   8.532  -0.048  -4.397
  988    H    GLY  91           H        GLY  91   5.414   1.250  -4.796
  989   1HA   GLY  91          1HA       GLY  91   5.677   1.406  -7.712
  990   2HA   GLY  91          2HA       GLY  91   4.250   1.825  -6.778
  991    H    ARG  92           H        ARG  92   7.574   2.932  -6.258
  992    HA   ARG  92           HA       ARG  92   6.606   5.667  -6.239
  993   1HB   ARG  92          1HB       ARG  92   9.437   4.704  -5.828
  994   2HB   ARG  92          2HB       ARG  92   8.772   6.270  -5.386
  995   1HG   ARG  92          1HG       ARG  92   7.302   5.154  -3.754
  996   2HG   ARG  92          2HG       ARG  92   8.064   3.614  -4.162
  997   1HD   ARG  92          1HD       ARG  92   9.205   4.314  -2.255
  998   2HD   ARG  92          2HD       ARG  92  10.272   4.772  -3.581
  999    HE   ARG  92           HE       ARG  92   8.464   6.691  -2.259
 1000   1HH1  ARG  92          1HH1      ARG  92  11.588   5.843  -3.597
 1001   2HH1  ARG  92          2HH1      ARG  92  12.324   7.354  -3.170
 1002   1HH2  ARG  92          1HH2      ARG  92   9.434   8.688  -1.695
 1003   2HH2  ARG  92          2HH2      ARG  92  11.095   8.978  -2.095
 1004    H    ASN  93           H        ASN  93   8.308   7.277  -7.204
 1005    HA   ASN  93           HA       ASN  93   9.325   8.251  -8.966
 1006   1HB   ASN  93          1HB       ASN  93  10.757   6.201  -9.037
 1007   2HB   ASN  93          2HB       ASN  93   9.630   5.514 -10.206
 1008   1HD2  ASN  93          1HD2      ASN  93  11.145   5.418 -11.846
 1009   2HD2  ASN  93          2HD2      ASN  93  11.751   6.830 -12.636
 1010    H    LYS  94           H        LYS  94   7.224   5.613 -10.140
 1011    HA   LYS  94           HA       LYS  94   6.439   6.785 -12.537
 1012   1HB   LYS  94          1HB       LYS  94   5.947   4.454 -11.931
 1013   2HB   LYS  94          2HB       LYS  94   4.806   5.007 -10.712
 1014   1HG   LYS  94          1HG       LYS  94   3.637   4.261 -12.692
 1015   2HG   LYS  94          2HG       LYS  94   3.417   5.998 -12.471
 1016   1HD   LYS  94          1HD       LYS  94   5.188   6.412 -14.130
 1017   2HD   LYS  94          2HD       LYS  94   5.352   4.672 -14.371
 1018   1HE   LYS  94          1HE       LYS  94   3.984   5.619 -16.127
 1019   2HE   LYS  94          2HE       LYS  94   3.001   4.576 -15.100
 1020   1HZ   LYS  94          1HZ       LYS  94   3.119   7.543 -14.949
 1021   2HZ   LYS  94          2HZ       LYS  94   2.172   6.541 -13.970
 1022   3HZ   LYS  94          3HZ       LYS  94   1.856   6.636 -15.628
 1023    H    PHE  95           H        PHE  95   4.818   6.972  -9.372
 1024    HA   PHE  95           HA       PHE  95   3.595   9.491 -10.288
 1025   1HB   PHE  95          1HB       PHE  95   2.555   7.481  -8.281
 1026   2HB   PHE  95          2HB       PHE  95   1.852   9.075  -8.523
 1027    HD1  PHE  95           HD1      PHE  95   0.935   9.649 -10.805
 1028    HD2  PHE  95           HD2      PHE  95   1.956   5.682  -9.651
 1029    HE1  PHE  95           HE1      PHE  95  -0.465   8.763 -12.625
 1030    HE2  PHE  95           HE2      PHE  95   0.558   4.789 -11.469
 1031    HZ   PHE  95           HZ       PHE  95  -0.653   6.331 -12.958
 1032    H    GLY  96           H        GLY  96   6.174   8.635  -8.873
 1033   1HA   GLY  96          1HA       GLY  96   6.273   9.453  -6.231
 1034   2HA   GLY  96          2HA       GLY  96   7.617   9.553  -7.353
 1035    HA   PRO  97           HA       PRO  97   7.478  13.980  -7.900
 1036   1HB   PRO  97          1HB       PRO  97   5.521  13.946 -10.149
 1037   2HB   PRO  97          2HB       PRO  97   7.080  14.768 -10.023
 1038   1HG   PRO  97          1HG       PRO  97   6.815  12.546 -11.472
 1039   2HG   PRO  97          2HG       PRO  97   8.280  12.855 -10.522
 1040   1HD   PRO  97          1HD       PRO  97   6.036  10.974  -9.983
 1041   2HD   PRO  97          2HD       PRO  97   7.760  10.829  -9.587
 1042    H    MET  98           H        MET  98   4.160  12.711  -8.415
 1043    HA   MET  98           HA       MET  98   2.989  15.139  -7.442
 1044   1HB   MET  98          1HB       MET  98   0.841  14.015  -7.614
 1045   2HB   MET  98          2HB       MET  98   1.787  13.747  -9.069
 1046   1HG   MET  98          1HG       MET  98   2.359  11.512  -8.287
 1047   2HG   MET  98          2HG       MET  98   1.433  11.791  -6.814
 1048   1HE   MET  98          1HE       MET  98  -1.152  13.248  -7.688
 1049   2HE   MET  98          2HE       MET  98  -1.149  11.822  -6.650
 1050   3HE   MET  98          3HE       MET  98  -2.227  11.897  -8.044
 1051    H    TYR  99           H        TYR  99   3.937  12.099  -6.023
 1052    HA   TYR  99           HA       TYR  99   2.483  12.363  -3.602
 1053   1HB   TYR  99          1HB       TYR  99   5.027  10.844  -4.209
 1054   2HB   TYR  99          2HB       TYR  99   4.131  10.713  -2.700
 1055    HD1  TYR  99           HD1      TYR  99   1.342  10.669  -3.723
 1056    HD2  TYR  99           HD2      TYR  99   4.842   8.718  -5.152
 1057    HE1  TYR  99           HE1      TYR  99  -0.052   8.892  -4.690
 1058    HE2  TYR  99           HE2      TYR  99   3.455   6.933  -6.120
 1059    HH   TYR  99           HH       TYR  99   0.154   7.211  -6.556
 1060    H    LYS 100           H        LYS 100   5.821  13.182  -4.505
 1061    HA   LYS 100           HA       LYS 100   6.456  14.237  -1.936
 1062   1HB   LYS 100          1HB       LYS 100   8.464  15.177  -3.062
 1063   2HB   LYS 100          2HB       LYS 100   8.263  13.445  -3.296
 1064   1HG   LYS 100          1HG       LYS 100   7.285  13.933  -5.530
 1065   2HG   LYS 100          2HG       LYS 100   7.677  15.633  -5.275
 1066   1HD   LYS 100          1HD       LYS 100   9.668  13.364  -5.273
 1067   2HD   LYS 100          2HD       LYS 100   9.376  14.461  -6.624
 1068   1HE   LYS 100          1HE       LYS 100  10.299  15.319  -3.884
 1069   2HE   LYS 100          2HE       LYS 100  11.368  15.052  -5.260
 1070   1HZ   LYS 100          1HZ       LYS 100   9.224  17.099  -5.034
 1071   2HZ   LYS 100          2HZ       LYS 100  10.083  16.775  -6.459
 1072   3HZ   LYS 100          3HZ       LYS 100  10.899  17.365  -5.095
 1073    H    ARG 101           H        ARG 101   5.123  15.588  -4.875
 1074    HA   ARG 101           HA       ARG 101   5.544  18.296  -4.191
 1075   1HB   ARG 101          1HB       ARG 101   4.982  17.548  -6.488
 1076   2HB   ARG 101          2HB       ARG 101   3.361  17.138  -5.937
 1077   1HG   ARG 101          1HG       ARG 101   3.041  19.512  -5.293
 1078   2HG   ARG 101          2HG       ARG 101   4.608  19.875  -6.015
 1079   1HD   ARG 101          1HD       ARG 101   3.763  18.986  -8.168
 1080   2HD   ARG 101          2HD       ARG 101   2.179  18.774  -7.420
 1081    HE   ARG 101           HE       ARG 101   3.349  21.443  -7.322
 1082   1HH1  ARG 101          1HH1      ARG 101   1.013  19.257  -8.753
 1083   2HH1  ARG 101          2HH1      ARG 101   0.155  20.525  -9.579
 1084   1HH2  ARG 101          1HH2      ARG 101   2.193  23.112  -8.379
 1085   2HH2  ARG 101          2HH2      ARG 101   0.815  22.706  -9.357
 1086    H    ASP 102           H        ASP 102   2.794  16.099  -3.758
 1087    HA   ASP 102           HA       ASP 102   1.087  17.960  -2.498
 1088   1HB   ASP 102          1HB       ASP 102   0.292  15.821  -3.443
 1089   2HB   ASP 102          2HB       ASP 102   1.160  14.950  -2.181
 1090    H    ARG 103           H        ARG 103   3.477  15.684  -1.266
 1091    HA   ARG 103           HA       ARG 103   3.124  16.091   1.473
 1092   1HB   ARG 103          1HB       ARG 103   4.593  14.356   0.518
 1093   2HB   ARG 103          2HB       ARG 103   5.703  15.602  -0.036
 1094   1HG   ARG 103          1HG       ARG 103   6.619  14.689   1.939
 1095   2HG   ARG 103          2HG       ARG 103   5.985  16.280   2.362
 1096   1HD   ARG 103          1HD       ARG 103   5.370  14.742   4.092
 1097   2HD   ARG 103          2HD       ARG 103   3.916  15.164   3.184
 1098    HE   ARG 103           HE       ARG 103   3.921  13.009   2.218
 1099   1HH1  ARG 103          1HH1      ARG 103   6.414  13.475   4.623
 1100   2HH1  ARG 103          2HH1      ARG 103   6.725  11.778   4.831
 1101   1HH2  ARG 103          1HH2      ARG 103   4.312  10.750   2.496
 1102   2HH2  ARG 103          2HH2      ARG 103   5.519  10.228   3.623
 1103    H    ALA 104           H        ALA 104   5.073  17.859  -0.886
 1104    HA   ALA 104           HA       ALA 104   6.185  19.703   0.960
 1105   1HB   ALA 104          1HB       ALA 104   5.836  19.973  -2.024
 1106   2HB   ALA 104          2HB       ALA 104   7.209  19.221  -1.210
 1107   3HB   ALA 104          3HB       ALA 104   6.900  20.945  -1.008
 1108    H    LEU 105           H        LEU 105   3.164  19.555  -0.732
 1109    HA   LEU 105           HA       LEU 105   2.479  22.311  -0.328
 1110   1HB   LEU 105          1HB       LEU 105   0.808  19.905  -1.043
 1111   2HB   LEU 105          2HB       LEU 105   0.179  21.539  -0.956
 1112    HG   LEU 105           HG       LEU 105   2.392  20.687  -2.824
 1113   1HD1  LEU 105          1HD1      LEU 105   0.321  19.526  -3.373
 1114   2HD1  LEU 105          2HD1      LEU 105   0.698  20.755  -4.582
 1115   3HD1  LEU 105          3HD1      LEU 105  -0.550  21.059  -3.373
 1116   1HD2  LEU 105          1HD2      LEU 105   0.697  23.180  -2.698
 1117   2HD2  LEU 105          2HD2      LEU 105   1.899  22.810  -3.935
 1118   3HD2  LEU 105          3HD2      LEU 105   2.401  23.060  -2.263
 1119    H    LYS 106           H        LYS 106   1.640  19.245   1.239
 1120    HA   LYS 106           HA       LYS 106  -0.101  20.379   3.161
 1121   1HB   LYS 106          1HB       LYS 106   1.367  17.756   3.060
 1122   2HB   LYS 106          2HB       LYS 106   0.276  18.187   4.371
 1123   1HG   LYS 106          1HG       LYS 106  -1.559  18.411   2.805
 1124   2HG   LYS 106          2HG       LYS 106  -0.474  18.044   1.462
 1125   1HD   LYS 106          1HD       LYS 106  -0.073  15.833   2.342
 1126   2HD   LYS 106          2HD       LYS 106  -1.046  16.196   3.769
 1127   1HE   LYS 106          1HE       LYS 106  -2.125  16.289   0.963
 1128   2HE   LYS 106          2HE       LYS 106  -2.190  14.848   1.971
 1129   1HZ   LYS 106          1HZ       LYS 106  -3.533  16.006   3.565
 1130   2HZ   LYS 106          2HZ       LYS 106  -4.242  16.193   2.034
 1131   3HZ   LYS 106          3HZ       LYS 106  -3.367  17.471   2.723
 1132    H    GLN 107           H        GLN 107   3.321  19.398   3.362
 1133    HA   GLN 107           HA       GLN 107   3.535  20.305   6.077
 1134   1HB   GLN 107          1HB       GLN 107   5.706  19.609   4.090
 1135   2HB   GLN 107          2HB       GLN 107   5.963  19.917   5.801
 1136   1HG   GLN 107          1HG       GLN 107   4.365  17.995   6.237
 1137   2HG   GLN 107          2HG       GLN 107   4.518  17.618   4.521
 1138   1HE2  GLN 107          1HE2      GLN 107   7.090  18.893   6.521
 1139   2HE2  GLN 107          2HE2      GLN 107   8.087  17.479   6.480
 1140    H    GLN 108           H        GLN 108   4.657  21.509   2.943
 1141    HA   GLN 108           HA       GLN 108   5.233  23.540   2.165
 1142   1HB   GLN 108          1HB       GLN 108   3.000  24.180   2.924
 1143   2HB   GLN 108          2HB       GLN 108   3.634  24.558   4.519
 1144   1HG   GLN 108          1HG       GLN 108   5.028  26.320   3.526
 1145   2HG   GLN 108          2HG       GLN 108   4.343  25.952   1.946
 1146   1HE2  GLN 108          1HE2      GLN 108   1.689  25.441   3.058
 1147   2HE2  GLN 108          2HE2      GLN 108   1.027  26.990   3.442
 1148    H    LYS 109           H        LYS 109   5.265  24.428   5.606
 1149    HA   LYS 109           HA       LYS 109   8.097  25.151   5.288
 1150   1HB   LYS 109          1HB       LYS 109   6.493  26.974   5.899
 1151   2HB   LYS 109          2HB       LYS 109   6.121  26.100   7.377
 1152   1HG   LYS 109          1HG       LYS 109   8.451  26.340   8.098
 1153   2HG   LYS 109          2HG       LYS 109   8.808  27.236   6.617
 1154   1HD   LYS 109          1HD       LYS 109   7.059  28.886   7.278
 1155   2HD   LYS 109          2HD       LYS 109   6.898  28.033   8.812
 1156   1HE   LYS 109          1HE       LYS 109   9.435  29.296   7.780
 1157   2HE   LYS 109          2HE       LYS 109   8.348  30.025   8.959
 1158   1HZ   LYS 109          1HZ       LYS 109   8.771  28.064  10.400
 1159   2HZ   LYS 109          2HZ       LYS 109  10.145  29.013  10.110
 1160   3HZ   LYS 109          3HZ       LYS 109   9.949  27.545   9.292
 1161    H    LYS 110           H        LYS 110   9.104  23.251   5.787
 1162    HA   LYS 110           HA       LYS 110   8.233  21.778   8.142
 1163   1HB   LYS 110          1HB       LYS 110   9.697  20.010   7.452
 1164   2HB   LYS 110          2HB       LYS 110   8.766  20.536   6.060
 1165   1HG   LYS 110          1HG       LYS 110  11.573  21.469   6.596
 1166   2HG   LYS 110          2HG       LYS 110  11.203  20.017   5.669
 1167   1HD   LYS 110          1HD       LYS 110   9.825  21.449   4.146
 1168   2HD   LYS 110          2HD       LYS 110  10.443  22.858   5.012
 1169   1HE   LYS 110          1HE       LYS 110  12.119  20.808   3.565
 1170   2HE   LYS 110          2HE       LYS 110  11.701  22.404   2.948
 1171   1HZ   LYS 110          1HZ       LYS 110  13.299  21.865   5.397
 1172   2HZ   LYS 110          2HZ       LYS 110  12.911  23.399   4.784
 1173   3HZ   LYS 110          3HZ       LYS 110  13.918  22.363   3.898
 1174    H    ALA 111           H        ALA 111  10.414  24.191   7.389
 1175    HA   ALA 111           HA       ALA 111  12.109  23.505   9.685
 1176   1HB   ALA 111          1HB       ALA 111  12.670  25.418   7.416
 1177   2HB   ALA 111          2HB       ALA 111  13.346  23.798   7.595
 1178   3HB   ALA 111          3HB       ALA 111  13.758  25.060   8.757
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  29.358   3.906  -1.784
    2   2H5*    G   1          2H5*        G   1  28.533   2.347  -1.594
    3    H4*    G   1           H4*        G   1  28.874   4.062   0.402
    4    H3*    G   1           H3*        G   1  27.568   1.740   0.314
    5    H1*    G   1           H1*        G   1  25.469   4.975   1.048
    6    H8     G   1           H8         G   1  24.807   3.343  -2.346
    7    H1     G   1           H1         G   1  22.179   9.149  -1.562
    8   1H2     G   1          1H2         G   1  22.878  10.048   0.320
    9   2H2     G   1          2H2         G   1  23.993   9.227   1.391
   10    H5T    G   1           H5T        G   1  26.818   4.416  -2.094
   11   1H2*    G   1          1H2*        G   1  25.516   2.475  -0.678
   12   2H2*    G   1          2H2*        G   1  25.112   2.633   1.026
   13   1H5*    G   2          1H5*        G   2  26.171   4.860   2.937
   14   2H5*    G   2          2H5*        G   2  26.173   4.486   4.673
   15    H4*    G   2           H4*        G   2  24.471   6.009   4.499
   16    H3*    G   2           H3*        G   2  23.621   3.407   5.073
   17    H1*    G   2           H1*        G   2  21.860   6.065   2.972
   18    H8     G   2           H8         G   2  22.715   2.925   0.864
   19    H1     G   2           H1         G   2  19.092   7.372  -2.027
   20   1H2     G   2          1H2         G   2  18.851   9.122  -0.705
   21   2H2     G   2          2H2         G   2  19.577   9.199   0.885
   22   1H2*    G   2          1H2*        G   2  22.369   3.046   3.094
   23   2H2*    G   2          2H2*        G   2  21.169   3.976   3.980
   24   1H5*    C   3          1H5*        C   3  21.490   7.154   5.504
   25   2H5*    C   3          2H5*        C   3  21.437   7.456   7.254
   26    H4*    C   3           H4*        C   3  19.994   9.050   6.533
   27    H3*    C   3           H3*        C   3  18.689   7.168   7.904
   28    H1*    C   3           H1*        C   3  17.320   8.040   4.273
   29   1H4     C   3          1H4         C   3  18.249   3.563  -0.092
   30   2H4     C   3          2H4         C   3  19.185   2.585   1.016
   31    H5     C   3           H5         C   3  19.695   3.278   3.274
   32    H6     C   3           H6         C   3  19.402   5.040   4.933
   33   1H2*    C   3          1H2*        C   3  17.924   5.757   6.153
   34   2H2*    C   3          2H2*        C   3  16.586   6.898   6.174
   35   1H5*    T   4          1H5*        T   4  16.528   9.737   5.649
   36   2H5*    T   4          2H5*        T   4  15.467  11.039   6.221
   37    H4*    T   4           H4*        T   4  14.424  10.603   4.286
   38    H3*    T   4           H3*        T   4  13.053   9.330   6.392
   39   1H2*    T   4          1H2*        T   4  13.254   7.112   5.614
   40   2H2*    T   4          2H2*        T   4  11.992   7.613   4.498
   41    H1*    T   4           H1*        T   4  13.554   8.173   2.759
   42    H3     T   4           H3         T   4  14.706   4.227   1.019
   43   1H5M    T   4          1H5M        T   4  17.062   4.296   5.737
   44   2H5M    T   4          2H5M        T   4  15.575   3.351   5.996
   45   3H5M    T   4          3H5M        T   4  16.791   2.792   4.822
   46    H6     T   4           H6         T   4  15.272   6.144   5.349
   47   1H5*    C   5          1H5*        C   5  11.448  10.058   2.122
   48   2H5*    C   5          2H5*        C   5   9.796  10.700   2.260
   49    H4*    C   5           H4*        C   5  10.024   9.541   0.180
   50    H3*    C   5           H3*        C   5   7.921   9.045   1.813
   51    H1*    C   5           H1*        C   5   9.858   6.206   0.109
   52   1H4     C   5          1H4         C   5  13.022   1.831   3.383
   53   2H4     C   5          2H4         C   5  12.962   2.776   4.857
   54    H5     C   5           H5         C   5  11.921   4.965   4.973
   55    H6     C   5           H6         C   5  10.722   6.673   3.709
   56   1H2*    C   5          1H2*        C   5   8.751   7.040   2.834
   57   2H2*    C   5          2H2*        C   5   7.874   6.368   1.467
   58   1H5*    A   6          1H5*        A   6   6.792   7.338  -2.663
   59   2H5*    A   6          2H5*        A   6   5.083   7.778  -2.852
   60    H4*    A   6           H4*        A   6   5.430   5.540  -3.613
   61    H3*    A   6           H3*        A   6   3.470   6.133  -1.707
   62    H1*    A   6           H1*        A   6   5.651   2.967  -1.955
   63    H8     A   6           H8         A   6   6.525   5.091   1.182
   64   1H6     A   6          1H6         A   6   9.457   0.032   3.179
   65   2H6     A   6          2H6         A   6   9.038   1.692   3.538
   66    H2     A   6           H2         A   6   7.665  -0.897  -0.837
   67   1H2*    A   6          1H2*        A   6   4.341   4.847   0.074
   68   2H2*    A   6          2H2*        A   6   3.604   3.526  -0.825
   69   1H5*    G   7          1H5*        G   7   4.036   2.509  -4.669
   70   2H5*    G   7          2H5*        G   7   2.377   2.168  -5.203
   71    H4*    G   7           H4*        G   7   4.000   0.322  -5.579
   72    H3*    G   7           H3*        G   7   1.394   0.021  -4.979
   73    H1*    G   7           H1*        G   7   4.090  -1.932  -2.988
   74    H8     G   7           H8         G   7   2.764   1.159  -1.046
   75    H1     G   7           H1         G   7   6.297  -3.015   2.322
   76   1H2     G   7          1H2         G   7   6.963  -4.658   1.013
   77   2H2     G   7          2H2         G   7   6.538  -4.727  -0.681
   78   1H2*    G   7          1H2*        G   7   1.589  -0.226  -2.605
   79   2H2*    G   7          2H2*        G   7   1.702  -1.909  -3.105
   80   1H5*    G   8          1H5*        G   8   4.688  -4.532  -5.205
   81   2H5*    G   8          2H5*        G   8   3.302  -4.964  -6.233
   82    H4*    G   8           H4*        G   8   4.247  -6.875  -4.980
   83    H3*    G   8           H3*        G   8   1.641  -6.526  -5.490
   84    H1*    G   8           H1*        G   8   2.754  -7.207  -1.833
   85    H8     G   8           H8         G   8   1.225  -3.762  -2.356
   86    H1     G   8           H1         G   8   3.928  -4.669   3.396
   87   1H2     G   8          1H2         G   8   5.085  -6.546   3.401
   88   2H2     G   8          2H2         G   8   5.188  -7.582   1.996
   89   1H2*    G   8          1H2*        G   8   1.039  -5.328  -3.514
   90   2H2*    G   8          2H2*        G   8   0.685  -6.975  -3.011
   91   1H5*    G   9          1H5*        G   9   3.976  -8.016  -2.066
   92   2H5*    G   9          2H5*        G   9   4.048  -9.355  -3.231
   93    H4*    G   9           H4*        G   9   5.311 -10.173  -1.510
   94    H3*    G   9           H3*        G   9   3.112 -11.613  -1.900
   95    H1*    G   9           H1*        G   9   3.653 -10.196   1.805
   96    H8     G   9           H8         G   9   1.288  -8.361  -0.642
   97    H1     G   9           H1         G   9   1.330  -6.176   5.394
   98   1H2     G   9          1H2         G   9   2.803  -7.301   6.592
   99   2H2     G   9          2H2         G   9   3.774  -8.586   5.907
  100   1H2*    G   9          1H2*        G   9   1.602 -10.630  -0.353
  101   2H2*    G   9          2H2*        G   9   2.353 -11.796   0.729
  102   1H5*    C  10          1H5*        C  10   4.191 -11.514   1.860
  103   2H5*    C  10          2H5*        C  10   5.055 -12.898   2.558
  104    H4*    C  10           H4*        C  10   4.036 -12.260   4.430
  105    H3*    C  10           H3*        C  10   2.457 -14.288   3.263
  106    H1*    C  10           H1*        C  10   1.403 -11.187   5.262
  107   1H4     C  10          1H4         C  10  -3.044  -7.274   3.005
  108   2H4     C  10          2H4         C  10  -2.995  -8.021   1.425
  109    H5     C  10           H5         C  10  -1.502  -9.844   0.876
  110    H6     C  10           H6         C  10   0.238 -11.323   1.731
  111   1H2*    C  10          1H2*        C  10   0.490 -13.012   2.977
  112   2H2*    C  10          2H2*        C  10   0.325 -13.274   4.707
  113   1H5*    C  11          1H5*        C  11   2.229 -12.185   7.294
  114   2H5*    C  11          2H5*        C  11   2.868 -13.579   8.189
  115    H4*    C  11           H4*        C  11   2.117 -12.230   9.878
  116    H3*    C  11           H3*        C  11   0.788 -14.547   9.737
  117    H1*    C  11           H1*        C  11  -1.378 -11.203   9.775
  118   1H4     C  11          1H4         C  11  -4.259  -9.918   4.296
  119   2H4     C  11          2H4         C  11  -3.487 -11.270   3.497
  120    H5     C  11           H5         C  11  -1.871 -12.706   4.602
  121    H6     C  11           H6         C  11  -0.691 -13.137   6.686
  122   1H2*    C  11          1H2*        C  11  -1.138 -13.928   8.513
  123   2H2*    C  11          2H2*        C  11  -1.710 -13.485  10.114
  124   1H5*    A  12          1H5*        A  12  -0.762 -11.144  13.085
  125   2H5*    A  12          2H5*        A  12  -0.907 -12.279  14.442
  126    H4*    A  12           H4*        A  12  -2.481 -10.493  14.716
  127    H3*    A  12           H3*        A  12  -3.245 -13.037  15.060
  128    H1*    A  12           H1*        A  12  -5.385 -10.709  12.824
  129    H8     A  12           H8         A  12  -3.132 -13.085  10.728
  130   1H6     A  12          1H6         A  12  -6.547 -11.194   5.923
  131   2H6     A  12          2H6         A  12  -5.244 -12.243   6.435
  132    H2     A  12           H2         A  12  -7.942  -8.993   9.577
  133   1H2*    A  12          1H2*        A  12  -4.066 -13.462  12.841
  134   2H2*    A  12          2H2*        A  12  -5.542 -12.955  13.652
  135   1H5*    C  13          1H5*        C  13  -6.016  -9.869  15.313
  136   2H5*    C  13          2H5*        C  13  -6.872  -9.458  16.813
  137    H4*    C  13           H4*        C  13  -8.213  -8.572  15.161
  138    H3*    C  13           H3*        C  13  -9.324 -10.716  16.576
  139    H1*    C  13           H1*        C  13  -9.796  -9.793  12.896
  140   1H4     C  13          1H4         C  13  -8.999 -14.105   8.331
  141   2H4     C  13          2H4         C  13  -8.006 -15.119   9.358
  142    H5     C  13           H5         C  13  -7.454 -14.532  11.648
  143    H6     C  13           H6         C  13  -7.772 -12.877  13.412
  144   1H2*    C  13          1H2*        C  13  -9.532 -12.215  14.753
  145   2H2*    C  13          2H2*        C  13 -10.966 -11.247  14.438
  146   1H5*    A  14          1H5*        A  14 -11.404  -7.584  14.036
  147   2H5*    A  14          2H5*        A  14 -12.551  -6.848  15.173
  148    H4*    A  14           H4*        A  14 -13.196  -6.171  13.012
  149    H3*    A  14           H3*        A  14 -15.076  -7.236  14.553
  150    H1*    A  14           H1*        A  14 -14.639  -8.745  10.971
  151    H8     A  14           H8         A  14 -12.764 -10.708  13.742
  152   1H6     A  14          1H6         A  14 -12.082 -15.115   9.443
  153   2H6     A  14          2H6         A  14 -11.755 -14.663  11.101
  154    H2     A  14           H2         A  14 -14.300 -11.682   7.587
  155   1H2*    A  14          1H2*        A  14 -14.816  -9.540  13.904
  156   2H2*    A  14          2H2*        A  14 -16.109  -9.030  12.825
  157   1H5*    G  15          1H5*        G  15 -16.157  -5.358  10.555
  158   2H5*    G  15          2H5*        G  15 -17.721  -4.520  10.506
  159    H4*    G  15           H4*        G  15 -17.102  -5.267   8.306
  160    H3*    G  15           H3*        G  15 -19.589  -5.586   9.219
  161    H1*    G  15           H1*        G  15 -17.771  -8.699   7.710
  162    H8     G  15           H8         G  15 -17.407  -8.464  11.567
  163    H1     G  15           H1         G  15 -16.344 -14.238   8.970
  164   1H2     G  15          1H2         G  15 -16.636 -14.152   6.787
  165   2H2     G  15          2H2         G  15 -17.091 -12.677   5.964
  166    H3T    G  15           H3T        G  15 -20.069  -5.758   7.157
  167   1H2*    G  15          1H2*        G  15 -19.392  -7.793  10.117
  168   2H2*    G  15          2H2*        G  15 -19.949  -8.168   8.492
  169   1H5*    C  16          1H5*        C  16 -17.241 -22.056   6.663
  170   2H5*    C  16          2H5*        C  16 -15.694 -22.683   6.068
  171    H4*    C  16           H4*        C  16 -16.814 -20.995   4.612
  172    H3*    C  16           H3*        C  16 -14.164 -21.369   4.848
  173    H1*    C  16           H1*        C  16 -15.644 -17.781   5.281
  174   1H4     C  16          1H4         C  16 -15.407 -15.055  10.992
  175   2H4     C  16          2H4         C  16 -14.763 -16.506  11.725
  176    H5     C  16           H5         C  16 -14.407 -18.552  10.498
  177    H6     C  16           H6         C  16 -14.576 -19.627   8.317
  178    H5T    C  16           H5T        C  16 -16.227 -21.473   8.382
  179   1H2*    C  16          1H2*        C  16 -13.689 -19.748   6.539
  180   2H2*    C  16          2H2*        C  16 -13.479 -18.756   5.103
  181   1H5*    T  17          1H5*        T  17 -15.175 -18.689   0.798
  182   2H5*    T  17          2H5*        T  17 -13.766 -17.895   0.065
  183    H4*    T  17           H4*        T  17 -15.919 -16.576   0.884
  184    H3*    T  17           H3*        T  17 -13.504 -15.729  -0.034
  185   1H2*    T  17          1H2*        T  17 -12.393 -15.581   2.091
  186   2H2*    T  17          2H2*        T  17 -13.048 -13.956   1.951
  187    H1*    T  17           H1*        T  17 -15.014 -14.507   3.253
  188    H3     T  17           H3         T  17 -13.375 -14.189   7.380
  189   1H5M    T  17          1H5M        T  17 -10.602 -17.822   6.833
  190   2H5M    T  17          2H5M        T  17 -10.811 -18.293   5.129
  191   3H5M    T  17          3H5M        T  17 -11.940 -18.896   6.365
  192    H6     T  17           H6         T  17 -12.672 -17.315   3.847
  193   1H5*    G  18          1H5*        G  18 -15.836 -12.188   2.883
  194   2H5*    G  18          2H5*        G  18 -16.415 -11.707   1.274
  195    H4*    G  18           H4*        G  18 -16.323  -9.670   2.220
  196    H3*    G  18           H3*        G  18 -14.305  -9.941   0.460
  197    H1*    G  18           H1*        G  18 -13.323  -8.835   4.223
  198    H8     G  18           H8         G  18 -12.598 -12.322   2.744
  199    H1     G  18           H1         G  18 -10.596 -11.360   8.768
  200   1H2     G  18          1H2         G  18 -11.286  -9.396   9.491
  201   2H2     G  18          2H2         G  18 -12.238  -8.318   8.494
  202   1H2*    G  18          1H2*        G  18 -12.426 -10.324   1.804
  203   2H2*    G  18          2H2*        G  18 -12.499  -8.593   2.102
  204   1H5*    T  19          1H5*        T  19 -14.265  -7.885   3.629
  205   2H5*    T  19          2H5*        T  19 -15.114  -6.338   3.426
  206    H4*    T  19           H4*        T  19 -14.339  -6.020   5.508
  207    H3*    T  19           H3*        T  19 -12.846  -4.562   3.720
  208   1H2*    T  19          1H2*        T  19 -10.828  -5.809   3.793
  209   2H2*    T  19          2H2*        T  19 -10.571  -4.818   5.222
  210    H1*    T  19           H1*        T  19 -11.329  -6.511   6.719
  211    H3     T  19           H3         T  19  -8.073  -9.543   6.861
  212   1H5M    T  19          1H5M        T  19  -8.714 -10.906   2.552
  213   2H5M    T  19          2H5M        T  19 -10.326 -10.267   2.151
  214   3H5M    T  19          3H5M        T  19  -8.874  -9.298   1.805
  215    H6     T  19           H6         T  19 -10.962  -8.059   3.373
  216   1H5*    G  20          1H5*        G  20 -11.957  -3.748   7.789
  217   2H5*    G  20          2H5*        G  20 -11.952  -2.108   8.468
  218    H4*    G  20           H4*        G  20 -10.048  -2.953   9.368
  219    H3*    G  20           H3*        G  20  -9.501  -1.137   7.274
  220    H1*    G  20           H1*        G  20  -7.608  -4.228   8.438
  221    H8     G  20           H8         G  20  -8.870  -4.718   4.789
  222    H1     G  20           H1         G  20  -4.502  -8.923   6.906
  223   1H2     G  20          1H2         G  20  -3.978  -8.467   9.005
  224   2H2     G  20          2H2         G  20  -4.711  -7.140   9.878
  225   1H2*    G  20          1H2*        G  20  -8.284  -2.637   5.907
  226   2H2*    G  20          2H2*        G  20  -7.011  -2.314   7.076
  227   1H5*    G  21          1H5*        G  21  -6.830  -2.563  10.364
  228   2H5*    G  21          2H5*        G  21  -6.696  -1.218  11.514
  229    H4*    G  21           H4*        G  21  -4.975  -2.419  12.274
  230    H3*    G  21           H3*        G  21  -3.975  -0.351  10.863
  231    H1*    G  21           H1*        G  21  -2.626  -3.979  10.225
  232    H8     G  21           H8         G  21  -5.248  -2.762   7.640
  233    H1     G  21           H1         G  21  -1.616  -7.739   5.827
  234   1H2     G  21          1H2         G  21  -0.226  -8.291   7.443
  235   2H2     G  21          2H2         G  21  -0.183  -7.440   8.973
  236   1H2*    G  21          1H2*        G  21  -3.513  -1.443   8.801
  237   2H2*    G  21          2H2*        G  21  -2.001  -1.775   9.634
  238   1H5*    C  22          1H5*        C  22  -1.640  -4.523  11.486
  239   2H5*    C  22          2H5*        C  22  -1.227  -3.668  12.987
  240    H4*    C  22           H4*        C  22   0.349  -5.337  12.928
  241    H3*    C  22           H3*        C  22   1.434  -2.926  12.833
  242    H1*    C  22           H1*        C  22   2.394  -5.352   9.796
  243   1H4     C  22          1H4         C  22  -0.679  -4.109   4.413
  244   2H4     C  22          2H4         C  22  -1.517  -2.751   5.126
  245    H5     C  22           H5         C  22  -1.275  -2.137   7.456
  246    H6     C  22           H6         C  22  -0.169  -2.688   9.558
  247   1H2*    C  22          1H2*        C  22   1.562  -2.547  10.488
  248   2H2*    C  22          2H2*        C  22   3.115  -3.342  10.714
  249   1H5*    C  23          1H5*        C  23   3.217  -6.018  10.762
  250   2H5*    C  23          2H5*        C  23   4.273  -6.784  11.965
  251    H4*    C  23           H4*        C  23   5.147  -7.787  10.181
  252    H3*    C  23           H3*        C  23   6.830  -5.763  10.853
  253    H1*    C  23           H1*        C  23   5.764  -6.392   7.149
  254   1H4     C  23          1H4         C  23   2.416  -1.924   4.165
  255   2H4     C  23          2H4         C  23   2.119  -1.050   5.652
  256    H5     C  23           H5         C  23   2.949  -1.799   7.802
  257    H6     C  23           H6         C  23   4.214  -3.536   8.956
  258   1H2*    C  23          1H2*        C  23   6.237  -4.176   9.185
  259   2H2*    C  23          2H2*        C  23   7.416  -5.105   8.268
  260   1H5*    C  24          1H5*        C  24   7.143  -8.067   6.860
  261   2H5*    C  24          2H5*        C  24   8.219  -9.193   7.712
  262    H4*    C  24           H4*        C  24   8.575  -9.840   5.566
  263    H3*    C  24           H3*        C  24  10.777  -8.747   6.563
  264    H1*    C  24           H1*        C  24   9.367  -7.032   3.209
  265   1H4     C  24          1H4         C  24   6.270  -1.615   4.327
  266   2H4     C  24          2H4         C  24   6.755  -1.629   6.008
  267    H5     C  24           H5         C  24   8.023  -3.431   6.999
  268    H6     C  24           H6         C  24   9.084  -5.587   6.588
  269   1H2*    C  24          1H2*        C  24  10.567  -6.481   5.899
  270   2H2*    C  24          2H2*        C  24  11.329  -7.094   4.438
  271   1H5*    T  25          1H5*        T  25  10.356  -8.993   2.227
  272   2H5*    T  25          2H5*        T  25  11.618  -9.964   1.443
  273    H4*    T  25           H4*        T  25  11.039  -8.481  -0.203
  274    H3*    T  25           H3*        T  25  13.587  -8.027   0.911
  275   1H2*    T  25          1H2*        T  25  13.271  -5.806   1.615
  276   2H2*    T  25          2H2*        T  25  13.386  -5.443  -0.102
  277    H1*    T  25           H1*        T  25  11.025  -5.431  -0.419
  278    H3     T  25           H3         T  25   9.148  -1.873   1.527
  279   1H5M    T  25          1H5M        T  25  12.629  -2.465   4.894
  280   2H5M    T  25          2H5M        T  25  11.119  -3.033   5.645
  281   3H5M    T  25          3H5M        T  25  12.375  -4.203   5.175
  282    H6     T  25           H6         T  25  12.253  -5.161   3.048
  283   1H5*    G  26          1H5*        G  26  12.049  -6.841  -2.911
  284   2H5*    G  26          2H5*        G  26  12.941  -6.645  -4.434
  285    H4*    G  26           H4*        G  26  11.120  -5.032  -4.184
  286    H3*    G  26           H3*        G  26  13.691  -4.399  -5.053
  287    H1*    G  26           H1*        G  26  11.389  -2.277  -2.851
  288    H8     G  26           H8         G  26  14.160  -3.801  -0.603
  289    H1     G  26           H1         G  26  11.515   1.681   1.443
  290   1H2     G  26          1H2         G  26  10.061   2.410  -0.041
  291   2H2     G  26          2H2         G  26   9.732   1.547  -1.526
  292   1H2*    G  26          1H2*        G  26  14.331  -3.026  -3.229
  293   2H2*    G  26          2H2*        G  26  13.387  -1.835  -4.114
  294   1H5*    A  27          1H5*        A  27  10.761  -0.855  -7.479
  295   2H5*    A  27          2H5*        A  27  12.044  -0.450  -8.638
  296    H4*    A  27           H4*        A  27  10.861   1.441  -7.390
  297    H3*    A  27           H3*        A  27  13.435   1.339  -8.437
  298    H1*    A  27           H1*        A  27  12.355   2.880  -5.093
  299    H8     A  27           H8         A  27  14.171  -0.483  -4.410
  300   1H6     A  27          1H6         A  27  15.309   1.851   1.206
  301   2H6     A  27          2H6         A  27  15.482   0.455   0.162
  302    H2     A  27           H2         A  27  13.130   4.969  -1.183
  303   1H2*    A  27          1H2*        A  27  14.622   1.275  -6.380
  304   2H2*    A  27          2H2*        A  27  14.340   3.007  -6.459
  305   1H5*    G  28          1H5*        G  28  11.337   5.224  -7.067
  306   2H5*    G  28          2H5*        G  28  11.401   6.273  -8.500
  307    H4*    G  28           H4*        G  28  11.091   7.693  -6.649
  308    H3*    G  28           H3*        G  28  13.160   8.221  -8.264
  309    H1*    G  28           H1*        G  28  13.712   8.155  -4.456
  310    H8     G  28           H8         G  28  14.633   4.696  -5.963
  311    H1     G  28           H1         G  28  17.056   6.009  -0.160
  312   1H2     G  28          1H2         G  28  16.467   8.043   0.458
  313   2H2     G  28          2H2         G  28  15.483   9.078  -0.552
  314   1H2*    G  28          1H2*        G  28  14.849   7.008  -7.050
  315   2H2*    G  28          2H2*        G  28  15.051   8.630  -6.400
  316   1H5*    C  29          1H5*        C  29  12.578  11.209  -4.937
  317   2H5*    C  29          2H5*        C  29  12.592  12.934  -5.364
  318    H4*    C  29           H4*        C  29  13.698  12.806  -3.317
  319    H3*    C  29           H3*        C  29  15.110  13.818  -5.426
  320    H1*    C  29           H1*        C  29  16.600  11.467  -2.811
  321   1H4     C  29          1H4         C  29  19.001   5.800  -4.291
  322   2H4     C  29          2H4         C  29  18.341   5.868  -5.910
  323    H5     C  29           H5         C  29  17.033   7.731  -6.721
  324    H6     C  29           H6         C  29  16.061   9.891  -6.137
  325   1H2*    C  29          1H2*        C  29  16.487  11.902  -5.840
  326   2H2*    C  29          2H2*        C  29  17.479  12.753  -4.664
  327   1H5*    C  30          1H5*        C  30  16.526  14.709  -0.829
  328   2H5*    C  30          2H5*        C  30  17.115  16.371  -1.046
  329    H4*    C  30           H4*        C  30  18.145  15.315   0.878
  330    H3*    C  30           H3*        C  30  19.541  16.806  -0.861
  331    H1*    C  30           H1*        C  30  20.884  13.262   0.102
  332   1H4     C  30          1H4         C  30  20.926   8.738  -4.327
  333   2H4     C  30          2H4         C  30  19.972   9.708  -5.427
  334    H5     C  30           H5         C  30  19.165  11.923  -4.866
  335    H6     C  30           H6         C  30  19.110  13.649  -3.142
  336    H3T    C  30           H3T        C  30  21.206  16.688   0.671
  337   1H2*    C  30          1H2*        C  30  20.390  15.087  -2.279
  338   2H2*    C  30          2H2*        C  30  21.682  15.151  -1.088
  339   1H    ASP  10          1H        ASP  10  -8.404   9.950  13.681
  340    HA   ASP  10           HA       ASP  10  -8.193  12.644  13.238
  341   1HB   ASP  10          1HB       ASP  10  -6.704  10.416  11.859
  342   2HB   ASP  10          2HB       ASP  10  -6.239  12.111  11.778
  343    H    GLU  11           H        GLU  11  -8.005  10.539  10.449
  344    HA   GLU  11           HA       GLU  11  -9.974  12.152   9.037
  345   1HB   GLU  11          1HB       GLU  11  -7.163  11.721   7.999
  346   2HB   GLU  11          2HB       GLU  11  -8.477  12.473   7.109
  347   1HG   GLU  11          1HG       GLU  11  -8.584  14.258   8.739
  348   2HG   GLU  11          2HG       GLU  11  -7.270  13.518   9.646
  349    H    LEU  12           H        LEU  12 -10.858  11.129   7.214
  350    HA   LEU  12           HA       LEU  12 -10.326   8.245   7.104
  351   1HB   LEU  12          1HB       LEU  12 -12.983   9.660   6.860
  352   2HB   LEU  12          2HB       LEU  12 -12.736   7.938   6.647
  353    HG   LEU  12           HG       LEU  12 -11.807   8.001   9.058
  354   1HD1  LEU  12          1HD1      LEU  12 -11.664  10.392   9.315
  355   2HD1  LEU  12          2HD1      LEU  12 -12.798   9.716  10.483
  356   3HD1  LEU  12          3HD1      LEU  12 -13.401  10.549   9.050
  357   1HD2  LEU  12          1HD2      LEU  12 -14.053   7.686   9.976
  358   2HD2  LEU  12          2HD2      LEU  12 -13.867   6.875   8.421
  359   3HD2  LEU  12          3HD2      LEU  12 -14.744   8.403   8.520
  360    H    CYS  13           H        CYS  13 -10.783   7.201   5.102
  361    HA   CYS  13           HA       CYS  13  -9.740   8.506   2.856
  362   1HB   CYS  13          1HB       CYS  13 -11.499   6.046   2.862
  363   2HB   CYS  13          2HB       CYS  13 -10.352   6.518   1.614
  364    HG   CYS  13           HG       CYS  13  -9.337   5.815   4.796
  365    HA   PRO  14           HA       PRO  14 -13.333  10.622   1.287
  366   1HB   PRO  14          1HB       PRO  14 -12.418  11.147  -1.208
  367   2HB   PRO  14          2HB       PRO  14 -11.853  12.020   0.221
  368   1HG   PRO  14          1HG       PRO  14 -10.560   9.766  -1.259
  369   2HG   PRO  14          2HG       PRO  14  -9.825  11.233  -0.587
  370   1HD   PRO  14          1HD       PRO  14  -9.713   8.811   0.648
  371   2HD   PRO  14          2HD       PRO  14  -9.703  10.351   1.529
  372    H    VAL  15           H        VAL  15 -12.424   7.560   0.513
  373    HA   VAL  15           HA       VAL  15 -14.576   7.277  -1.458
  374    HB   VAL  15           HB       VAL  15 -12.674   6.569  -2.579
  375   1HG1  VAL  15          1HG1      VAL  15 -11.299   6.373  -0.397
  376   2HG1  VAL  15          2HG1      VAL  15 -10.835   5.469  -1.833
  377   3HG1  VAL  15          3HG1      VAL  15 -11.701   4.658  -0.534
  378   1HG2  VAL  15          1HG2      VAL  15 -12.925   4.155  -2.909
  379   2HG2  VAL  15          2HG2      VAL  15 -14.476   4.993  -2.848
  380   3HG2  VAL  15          3HG2      VAL  15 -13.910   4.082  -1.448
  381    H    CYS  16           H        CYS  16 -12.975   4.955   0.672
  382    HA   CYS  16           HA       CYS  16 -15.471   3.625   1.150
  383   1HB   CYS  16          1HB       CYS  16 -14.161   2.036   2.450
  384   2HB   CYS  16          2HB       CYS  16 -13.360   2.378   0.920
  385    HG   CYS  16           HG       CYS  16 -12.094   2.474   3.873
  386    H    GLY  17           H        GLY  17 -13.434   5.840   2.924
  387   1HA   GLY  17          1HA       GLY  17 -14.140   7.218   4.673
  388   2HA   GLY  17          2HA       GLY  17 -15.561   6.206   4.866
  389    H    ASP  18           H        ASP  18 -12.209   5.065   4.817
  390    HA   ASP  18           HA       ASP  18 -12.525   4.312   7.648
  391   1HB   ASP  18          1HB       ASP  18 -10.720   3.116   5.536
  392   2HB   ASP  18          2HB       ASP  18 -10.702   2.663   7.235
  393    H    LYS  19           H        LYS  19 -10.678   4.465   9.016
  394    HA   LYS  19           HA       LYS  19  -9.302   6.865   9.055
  395   1HB   LYS  19          1HB       LYS  19  -9.010   4.223  10.380
  396   2HB   LYS  19          2HB       LYS  19  -7.614   5.289  10.447
  397   1HG   LYS  19          1HG       LYS  19 -10.234   6.466  11.157
  398   2HG   LYS  19          2HG       LYS  19  -9.530   5.306  12.288
  399   1HD   LYS  19          1HD       LYS  19  -8.109   7.736  11.199
  400   2HD   LYS  19          2HD       LYS  19  -8.884   7.644  12.784
  401   1HE   LYS  19          1HE       LYS  19  -7.387   5.881  13.464
  402   2HE   LYS  19          2HE       LYS  19  -6.680   5.812  11.852
  403   1HZ   LYS  19          1HZ       LYS  19  -5.835   8.051  12.165
  404   2HZ   LYS  19          2HZ       LYS  19  -5.269   7.020  13.386
  405   3HZ   LYS  19          3HZ       LYS  19  -6.518   8.118  13.718
  406    H    VAL  20           H        VAL  20  -7.782   7.671   7.829
  407    HA   VAL  20           HA       VAL  20  -6.541   6.264   5.742
  408    HB   VAL  20           HB       VAL  20  -5.026   8.321   5.638
  409   1HG1  VAL  20          1HG1      VAL  20  -8.020   8.653   5.523
  410   2HG1  VAL  20          2HG1      VAL  20  -6.982   8.043   4.233
  411   3HG1  VAL  20          3HG1      VAL  20  -6.842   9.721   4.759
  412   1HG2  VAL  20          1HG2      VAL  20  -5.910  10.282   6.911
  413   2HG2  VAL  20          2HG2      VAL  20  -5.145   9.053   7.919
  414   3HG2  VAL  20          3HG2      VAL  20  -6.907   9.158   7.844
  415    H    SER  21           H        SER  21  -4.653   5.275   5.522
  416    HA   SER  21           HA       SER  21  -3.014   4.896   7.916
  417   1HB   SER  21          1HB       SER  21  -3.859   2.873   6.792
  418   2HB   SER  21          2HB       SER  21  -3.088   3.377   5.291
  419    HG   SER  21           HG       SER  21  -1.663   2.003   6.172
  420    H    GLY  22           H        GLY  22  -2.948   6.073   4.616
  421   1HA   GLY  22          1HA       GLY  22  -0.966   7.916   4.861
  422   2HA   GLY  22          2HA       GLY  22  -0.091   6.423   4.550
  423    H    TYR  23           H        TYR  23   0.543   7.814   2.648
  424    HA   TYR  23           HA       TYR  23  -1.420   8.222   0.597
  425   1HB   TYR  23          1HB       TYR  23   1.592   8.473   0.606
  426   2HB   TYR  23          2HB       TYR  23   0.585   8.860  -0.786
  427    HD1  TYR  23           HD1      TYR  23  -0.359  10.978  -1.000
  428    HD2  TYR  23           HD2      TYR  23   1.126   9.745   2.788
  429    HE1  TYR  23           HE1      TYR  23  -0.725  13.243  -0.126
  430    HE2  TYR  23           HE2      TYR  23   0.765  12.008   3.674
  431    HH   TYR  23           HH       TYR  23  -0.865  14.482   1.763
  432    H    HIS  24           H        HIS  24  -2.262   6.520  -0.418
  433    HA   HIS  24           HA       HIS  24  -0.385   4.530  -1.503
  434   1HB   HIS  24          1HB       HIS  24  -3.108   3.848  -0.374
  435   2HB   HIS  24          2HB       HIS  24  -1.956   2.724  -1.076
  436    HD1  HIS  24           HD1      HIS  24   0.591   3.442   0.466
  437    HD2  HIS  24           HD2      HIS  24  -3.172   3.146   2.211
  438    HE1  HIS  24           HE1      HIS  24   1.004   2.913   2.886
  439    HE2  HIS  24           HE2      HIS  24  -1.286   2.430   3.827
  440    H    TYR  25           H        TYR  25  -0.489   4.567  -3.620
  441    HA   TYR  25           HA       TYR  25  -1.273   4.216  -5.694
  442   1HB   TYR  25          1HB       TYR  25  -3.961   3.845  -4.367
  443   2HB   TYR  25          2HB       TYR  25  -3.587   3.449  -6.043
  444    HD1  TYR  25           HD1      TYR  25  -1.946   1.618  -6.531
  445    HD2  TYR  25           HD2      TYR  25  -3.394   2.367  -2.604
  446    HE1  TYR  25           HE1      TYR  25  -1.182  -0.612  -5.828
  447    HE2  TYR  25           HE2      TYR  25  -2.636   0.142  -1.893
  448    HH   TYR  25           HH       TYR  25  -0.621  -1.840  -3.893
  449    H    GLY  26           H        GLY  26  -2.277   6.828  -3.850
  450   1HA   GLY  26          1HA       GLY  26  -2.348   8.563  -6.039
  451   2HA   GLY  26          2HA       GLY  26  -4.007   8.139  -5.649
  452    H    LEU  27           H        LEU  27  -3.778   7.990  -2.841
  453    HA   LEU  27           HA       LEU  27  -2.770  10.507  -1.883
  454   1HB   LEU  27          1HB       LEU  27  -4.826  11.594  -1.423
  455   2HB   LEU  27          2HB       LEU  27  -4.877  11.127  -3.110
  456    HG   LEU  27           HG       LEU  27  -6.220   9.547  -0.913
  457   1HD1  LEU  27          1HD1      LEU  27  -8.301  10.590  -1.649
  458   2HD1  LEU  27          2HD1      LEU  27  -7.395  11.627  -2.751
  459   3HD1  LEU  27          3HD1      LEU  27  -7.172  11.783  -1.007
  460   1HD2  LEU  27          1HD2      LEU  27  -6.572   9.527  -3.912
  461   2HD2  LEU  27          2HD2      LEU  27  -7.482   8.557  -2.754
  462   3HD2  LEU  27          3HD2      LEU  27  -5.750   8.290  -2.961
  463    H    LEU  28           H        LEU  28  -4.226  10.869   0.356
  464    HA   LEU  28           HA       LEU  28  -3.448   8.874   2.145
  465   1HB   LEU  28          1HB       LEU  28  -5.565  11.007   2.342
  466   2HB   LEU  28          2HB       LEU  28  -5.157   9.952   3.681
  467    HG   LEU  28           HG       LEU  28  -3.195  11.801   2.323
  468   1HD1  LEU  28          1HD1      LEU  28  -4.955  13.068   3.435
  469   2HD1  LEU  28          2HD1      LEU  28  -3.430  13.200   4.314
  470   3HD1  LEU  28          3HD1      LEU  28  -4.705  12.137   4.911
  471   1HD2  LEU  28          1HD2      LEU  28  -3.035  10.221   4.890
  472   2HD2  LEU  28          2HD2      LEU  28  -1.809  11.334   4.282
  473   3HD2  LEU  28          3HD2      LEU  28  -2.174   9.855   3.394
  474    H    THR  29           H        THR  29  -4.085   6.843   2.006
  475    HA   THR  29           HA       THR  29  -6.957   6.292   2.158
  476    HB   THR  29           HB       THR  29  -6.435   4.176   0.778
  477    HG1  THR  29           HG1      THR  29  -4.553   5.572  -0.652
  478   1HG2  THR  29          1HG2      THR  29  -6.445   6.883  -0.569
  479   2HG2  THR  29          2HG2      THR  29  -7.866   5.980  -0.041
  480   3HG2  THR  29          3HG2      THR  29  -6.852   5.350  -1.340
  481    H    CYS  30           H        CYS  30  -7.376   4.095   3.018
  482    HA   CYS  30           HA       CYS  30  -5.470   3.482   5.137
  483   1HB   CYS  30          1HB       CYS  30  -7.317   2.038   5.988
  484   2HB   CYS  30          2HB       CYS  30  -7.781   3.728   5.806
  485    HG   CYS  30           HG       CYS  30  -9.694   1.562   4.994
  486    H    GLU  31           H        GLU  31  -5.421   0.998   5.658
  487    HA   GLU  31           HA       GLU  31  -4.280  -0.314   3.399
  488   1HB   GLU  31          1HB       GLU  31  -4.993  -1.419   6.121
  489   2HB   GLU  31          2HB       GLU  31  -4.005  -2.235   4.918
  490   1HG   GLU  31          1HG       GLU  31  -3.351   0.293   6.407
  491   2HG   GLU  31          2HG       GLU  31  -2.565  -1.278   6.558
  492    H    SER  32           H        SER  32  -7.427  -0.119   4.772
  493    HA   SER  32           HA       SER  32  -8.631  -2.423   3.748
  494   1HB   SER  32          1HB       SER  32 -10.051   0.220   3.720
  495   2HB   SER  32          2HB       SER  32 -10.660  -1.366   4.193
  496    HG   SER  32           HG       SER  32 -10.129  -0.897   6.155
  497    H    CYS  33           H        CYS  33  -8.222   0.802   2.305
  498    HA   CYS  33           HA       CYS  33  -9.330   0.180  -0.221
  499   1HB   CYS  33          1HB       CYS  33  -7.239   2.255   0.484
  500   2HB   CYS  33          2HB       CYS  33  -8.169   2.208  -1.009
  501    HG   CYS  33           HG       CYS  33  -9.506   2.713   2.106
  502    H    LYS  34           H        LYS  34  -5.991   0.424   0.897
  503    HA   LYS  34           HA       LYS  34  -4.630  -0.316  -1.377
  504   1HB   LYS  34          1HB       LYS  34  -3.562   0.583   0.588
  505   2HB   LYS  34          2HB       LYS  34  -4.014  -0.822   1.533
  506   1HG   LYS  34          1HG       LYS  34  -2.371  -2.139   0.603
  507   2HG   LYS  34          2HG       LYS  34  -2.250  -1.143  -0.854
  508   1HD   LYS  34          1HD       LYS  34  -0.994   0.486   0.204
  509   2HD   LYS  34          2HD       LYS  34  -1.580   0.042   1.804
  510   1HE   LYS  34          1HE       LYS  34   0.217  -1.717   0.153
  511   2HE   LYS  34          2HE       LYS  34   0.819  -0.536   1.316
  512   1HZ   LYS  34          1HZ       LYS  34   0.709  -2.623   2.402
  513   2HZ   LYS  34          2HZ       LYS  34  -0.872  -2.902   1.875
  514   3HZ   LYS  34          3HZ       LYS  34  -0.569  -1.689   3.019
  515    H    GLY  35           H        GLY  35  -5.834  -2.494   1.184
  516   1HA   GLY  35          1HA       GLY  35  -4.851  -4.873   0.002
  517   2HA   GLY  35          2HA       GLY  35  -6.099  -4.773   1.234
  518    H    PHE  36           H        PHE  36  -8.096  -3.409  -0.043
  519    HA   PHE  36           HA       PHE  36  -9.306  -5.451  -1.574
  520   1HB   PHE  36          1HB       PHE  36 -10.624  -3.866  -0.261
  521   2HB   PHE  36          2HB       PHE  36 -10.070  -2.536  -1.271
  522    HD1  PHE  36           HD1      PHE  36 -12.044  -5.672  -1.317
  523    HD2  PHE  36           HD2      PHE  36 -11.206  -1.964  -3.233
  524    HE1  PHE  36           HE1      PHE  36 -13.970  -6.010  -2.809
  525    HE2  PHE  36           HE2      PHE  36 -13.129  -2.297  -4.730
  526    HZ   PHE  36           HZ       PHE  36 -14.515  -4.322  -4.519
  527    H    PHE  37           H        PHE  37  -7.724  -2.430  -2.438
  528    HA   PHE  37           HA       PHE  37  -8.337  -2.348  -5.156
  529   1HB   PHE  37          1HB       PHE  37  -7.168  -0.593  -3.676
  530   2HB   PHE  37          2HB       PHE  37  -5.685  -1.472  -4.020
  531    HD1  PHE  37           HD1      PHE  37  -8.530   0.236  -5.680
  532    HD2  PHE  37           HD2      PHE  37  -4.463  -0.984  -5.932
  533    HE1  PHE  37           HE1      PHE  37  -8.275   1.529  -7.756
  534    HE2  PHE  37           HE2      PHE  37  -4.204   0.308  -8.010
  535    HZ   PHE  37           HZ       PHE  37  -6.111   1.565  -8.926
  536    H    LYS  38           H        LYS  38  -5.510  -3.773  -3.504
  537    HA   LYS  38           HA       LYS  38  -4.282  -4.790  -5.816
  538   1HB   LYS  38          1HB       LYS  38  -4.149  -5.770  -2.969
  539   2HB   LYS  38          2HB       LYS  38  -3.141  -6.393  -4.266
  540   1HG   LYS  38          1HG       LYS  38  -2.405  -3.965  -4.598
  541   2HG   LYS  38          2HG       LYS  38  -3.115  -3.683  -3.005
  542   1HD   LYS  38          1HD       LYS  38  -0.938  -5.657  -3.684
  543   2HD   LYS  38          2HD       LYS  38  -0.751  -4.154  -2.780
  544   1HE   LYS  38          1HE       LYS  38  -1.966  -4.990  -0.944
  545   2HE   LYS  38          2HE       LYS  38  -2.595  -6.347  -1.878
  546   1HZ   LYS  38          1HZ       LYS  38  -0.418  -7.312  -1.955
  547   2HZ   LYS  38          2HZ       LYS  38  -0.796  -6.975  -0.339
  548   3HZ   LYS  38          3HZ       LYS  38   0.267  -5.969  -1.184
  549    H    ARG  39           H        ARG  39  -6.617  -6.308  -3.599
  550    HA   ARG  39           HA       ARG  39  -6.548  -8.868  -4.719
  551   1HB   ARG  39          1HB       ARG  39  -8.788  -7.425  -3.320
  552   2HB   ARG  39          2HB       ARG  39  -8.881  -9.113  -3.806
  553   1HG   ARG  39          1HG       ARG  39  -6.870  -9.563  -2.432
  554   2HG   ARG  39          2HG       ARG  39  -6.942  -7.897  -1.866
  555   1HD   ARG  39          1HD       ARG  39  -8.022  -9.218  -0.216
  556   2HD   ARG  39          2HD       ARG  39  -9.300  -8.386  -1.102
  557    HE   ARG  39           HE       ARG  39  -8.644 -11.037  -2.074
  558   1HH1  ARG  39          1HH1      ARG  39 -10.761  -9.094  -0.066
  559   2HH1  ARG  39          2HH1      ARG  39 -11.949 -10.340   0.104
  560   1HH2  ARG  39          1HH2      ARG  39 -10.199 -12.687  -1.841
  561   2HH2  ARG  39          2HH2      ARG  39 -11.635 -12.389  -0.907
  562    H    THR  40           H        THR  40  -8.243  -5.974  -5.674
  563    HA   THR  40           HA       THR  40  -9.879  -7.229  -7.635
  564    HB   THR  40           HB       THR  40  -9.059  -4.325  -7.467
  565    HG1  THR  40           HG1      THR  40 -10.036  -4.813  -5.534
  566   1HG2  THR  40          1HG2      THR  40 -11.171  -3.918  -8.646
  567   2HG2  THR  40          2HG2      THR  40 -11.464  -5.654  -8.728
  568   3HG2  THR  40          3HG2      THR  40 -10.101  -4.948  -9.597
  569    H    VAL  41           H        VAL  41  -7.065  -5.078  -7.929
  570    HA   VAL  41           HA       VAL  41  -6.854  -5.287 -10.717
  571    HB   VAL  41           HB       VAL  41  -4.561  -4.286 -10.406
  572   1HG1  VAL  41          1HG1      VAL  41  -6.888  -2.965  -9.014
  573   2HG1  VAL  41          2HG1      VAL  41  -6.524  -2.894 -10.739
  574   3HG1  VAL  41          3HG1      VAL  41  -5.431  -2.144  -9.575
  575   1HG2  VAL  41          1HG2      VAL  41  -4.014  -3.460  -8.166
  576   2HG2  VAL  41          2HG2      VAL  41  -3.997  -5.221  -8.263
  577   3HG2  VAL  41          3HG2      VAL  41  -5.359  -4.393  -7.510
  578    H    GLN  42           H        GLN  42  -4.999  -6.984  -8.183
  579    HA   GLN  42           HA       GLN  42  -3.180  -8.116 -10.075
  580   1HB   GLN  42          1HB       GLN  42  -3.662  -8.529  -7.147
  581   2HB   GLN  42          2HB       GLN  42  -2.558  -9.566  -8.036
  582   1HG   GLN  42          1HG       GLN  42  -1.276  -7.577  -8.713
  583   2HG   GLN  42          2HG       GLN  42  -2.365  -6.575  -7.755
  584   1HE2  GLN  42          1HE2      GLN  42  -0.643  -5.855  -6.496
  585   2HE2  GLN  42          2HE2      GLN  42   0.093  -6.855  -5.297
  586    H    ASN  43           H        ASN  43  -6.098  -9.215  -8.517
  587    HA   ASN  43           HA       ASN  43  -5.784 -11.925  -9.488
  588   1HB   ASN  43          1HB       ASN  43  -7.937 -10.498  -7.948
  589   2HB   ASN  43          2HB       ASN  43  -8.197 -12.111  -8.597
  590   1HD2  ASN  43          1HD2      ASN  43  -5.028 -11.215  -7.534
  591   2HD2  ASN  43          2HD2      ASN  43  -5.033 -12.149  -6.081
  592    H    ASN  44           H        ASN  44  -6.467  -9.165 -11.011
  593    HA   ASN  44           HA       ASN  44  -7.514  -8.548 -12.930
  594   1HB   ASN  44          1HB       ASN  44  -7.513 -11.540 -13.377
  595   2HB   ASN  44          2HB       ASN  44  -7.977 -10.364 -14.600
  596   1HD2  ASN  44          1HD2      ASN  44  -5.383 -11.808 -12.865
  597   2HD2  ASN  44          2HD2      ASN  44  -4.094 -11.104 -13.782
  598    H    LYS  45           H        LYS  45  -9.082  -8.557 -10.737
  599    HA   LYS  45           HA       LYS  45 -11.579  -9.913 -11.385
  600   1HB   LYS  45          1HB       LYS  45 -10.534  -8.475  -8.977
  601   2HB   LYS  45          2HB       LYS  45 -12.235  -8.863  -9.121
  602   1HG   LYS  45          1HG       LYS  45 -11.713 -11.222  -9.240
  603   2HG   LYS  45          2HG       LYS  45  -9.985 -10.861  -9.214
  604   1HD   LYS  45          1HD       LYS  45 -10.200  -9.901  -6.988
  605   2HD   LYS  45          2HD       LYS  45 -11.940 -10.192  -7.015
  606   1HE   LYS  45          1HE       LYS  45 -11.567 -12.586  -7.114
  607   2HE   LYS  45          2HE       LYS  45  -9.824 -12.334  -7.195
  608   1HZ   LYS  45          1HZ       LYS  45 -11.466 -11.385  -4.917
  609   2HZ   LYS  45          2HZ       LYS  45  -9.780 -11.556  -4.991
  610   3HZ   LYS  45          3HZ       LYS  45 -10.769 -12.931  -4.953
  611    H    HIS  46           H        HIS  46 -13.470  -8.872 -11.781
  612    HA   HIS  46           HA       HIS  46 -13.501  -5.954 -11.742
  613   1HB   HIS  46          1HB       HIS  46 -14.586  -5.789 -13.903
  614   2HB   HIS  46          2HB       HIS  46 -13.065  -6.646 -14.099
  615    HD1  HIS  46           HD1      HIS  46 -16.661  -6.916 -14.724
  616    HD2  HIS  46           HD2      HIS  46 -13.410  -9.506 -14.495
  617    HE1  HIS  46           HE1      HIS  46 -17.416  -9.055 -15.812
  618    HE2  HIS  46           HE2      HIS  46 -15.374 -10.535 -15.833
  619    H    TYR  47           H        TYR  47 -15.323  -5.165 -10.865
  620    HA   TYR  47           HA       TYR  47 -17.300  -7.185 -10.046
  621   1HB   TYR  47          1HB       TYR  47 -16.669  -4.506  -8.788
  622   2HB   TYR  47          2HB       TYR  47 -17.834  -5.679  -8.183
  623    HD1  TYR  47           HD1      TYR  47 -14.330  -4.760  -8.388
  624    HD2  TYR  47           HD2      TYR  47 -17.042  -7.820  -7.215
  625    HE1  TYR  47           HE1      TYR  47 -12.555  -5.814  -7.056
  626    HE2  TYR  47           HE2      TYR  47 -15.271  -8.884  -5.879
  627    HH   TYR  47           HH       TYR  47 -12.255  -7.307  -5.259
  628    H    THR  48           H        THR  48 -19.499  -6.044  -9.508
  629    HA   THR  48           HA       THR  48 -20.143  -4.067 -11.567
  630    HB   THR  48           HB       THR  48 -20.729  -6.286 -12.499
  631    HG1  THR  48           HG1      THR  48 -22.843  -5.685 -13.091
  632   1HG2  THR  48          1HG2      THR  48 -22.620  -6.458 -10.149
  633   2HG2  THR  48          2HG2      THR  48 -21.204  -7.475 -10.419
  634   3HG2  THR  48          3HG2      THR  48 -22.580  -7.569 -11.518
  635    H    CYS  49           H        CYS  49 -22.725  -3.650 -11.169
  636    HA   CYS  49           HA       CYS  49 -22.944  -3.031  -8.298
  637   1HB   CYS  49          1HB       CYS  49 -22.339  -1.025  -9.588
  638   2HB   CYS  49          2HB       CYS  49 -23.727  -1.279 -10.640
  639    HG   CYS  49           HG       CYS  49 -23.600   0.005  -7.525
  640    H    THR  50           H        THR  50 -25.137  -2.827  -7.507
  641    HA   THR  50           HA       THR  50 -27.047  -4.383  -9.118
  642    HB   THR  50           HB       THR  50 -26.377  -5.390  -6.935
  643    HG1  THR  50           HG1      THR  50 -29.083  -4.591  -7.315
  644   1HG2  THR  50          1HG2      THR  50 -27.795  -2.995  -5.757
  645   2HG2  THR  50          2HG2      THR  50 -26.069  -3.341  -5.640
  646   3HG2  THR  50          3HG2      THR  50 -27.236  -4.405  -4.857
  647    H    GLU  51           H        GLU  51 -26.321  -1.331  -8.542
  648    HA   GLU  51           HA       GLU  51 -29.118  -0.423  -8.485
  649   1HB   GLU  51          1HB       GLU  51 -26.756   0.903  -7.132
  650   2HB   GLU  51          2HB       GLU  51 -28.393   1.542  -7.188
  651   1HG   GLU  51          1HG       GLU  51 -29.208  -0.261  -5.839
  652   2HG   GLU  51          2HG       GLU  51 -27.646  -1.074  -5.906
  653    H    SER  52           H        SER  52 -27.938   2.368  -8.628
  654    HA   SER  52           HA       SER  52 -27.884   2.479 -11.514
  655   1HB   SER  52          1HB       SER  52 -27.637   4.768  -9.559
  656   2HB   SER  52          2HB       SER  52 -28.180   4.836 -11.237
  657    HG   SER  52           HG       SER  52 -29.929   3.386 -10.508
  658    H    GLN  53           H        GLN  53 -25.541   1.484  -9.798
  659    HA   GLN  53           HA       GLN  53 -23.307   1.337 -10.069
  660   1HB   GLN  53          1HB       GLN  53 -23.735   3.354 -12.270
  661   2HB   GLN  53          2HB       GLN  53 -22.168   2.657 -11.882
  662   1HG   GLN  53          1HG       GLN  53 -23.054   0.422 -12.349
  663   2HG   GLN  53          2HG       GLN  53 -24.612   1.135 -12.763
  664   1HE2  GLN  53          1HE2      GLN  53 -21.304   0.708 -13.739
  665   2HE2  GLN  53          2HE2      GLN  53 -21.514   1.212 -15.381
  666    H    SER  54           H        SER  54 -24.305   4.766 -10.223
  667    HA   SER  54           HA       SER  54 -22.065   5.466  -8.519
  668   1HB   SER  54          1HB       SER  54 -23.158   7.804  -8.748
  669   2HB   SER  54          2HB       SER  54 -22.403   7.089 -10.173
  670    HG   SER  54           HG       SER  54 -24.789   8.002 -10.077
  671    H    CYS  55           H        CYS  55 -22.947   4.004  -6.883
  672    HA   CYS  55           HA       CYS  55 -25.331   4.794  -5.464
  673   1HB   CYS  55          1HB       CYS  55 -23.263   2.720  -4.728
  674   2HB   CYS  55          2HB       CYS  55 -24.883   2.869  -4.059
  675    HG   CYS  55           HG       CYS  55 -25.677   0.996  -5.606
  676    H    LYS  56           H        LYS  56 -24.989   4.571  -2.929
  677    HA   LYS  56           HA       LYS  56 -23.107   6.649  -2.156
  678   1HB   LYS  56          1HB       LYS  56 -25.340   5.256  -0.670
  679   2HB   LYS  56          2HB       LYS  56 -24.269   6.435   0.075
  680   1HG   LYS  56          1HG       LYS  56 -26.122   6.931  -2.245
  681   2HG   LYS  56          2HG       LYS  56 -26.342   7.484  -0.582
  682   1HD   LYS  56          1HD       LYS  56 -24.340   8.835  -0.734
  683   2HD   LYS  56          2HD       LYS  56 -24.023   8.226  -2.358
  684   1HE   LYS  56          1HE       LYS  56 -26.131   9.243  -3.120
  685   2HE   LYS  56          2HE       LYS  56 -26.382   9.895  -1.500
  686   1HZ   LYS  56          1HZ       LYS  56 -23.990  10.485  -3.148
  687   2HZ   LYS  56          2HZ       LYS  56 -24.460  11.245  -1.706
  688   3HZ   LYS  56          3HZ       LYS  56 -25.368  11.469  -3.122
  689    H    ILE  57           H        ILE  57 -21.133   6.085  -1.555
  690    HA   ILE  57           HA       ILE  57 -20.593   3.361  -0.751
  691    HB   ILE  57           HB       ILE  57 -18.673   5.691  -0.887
  692   1HG1  ILE  57          1HG1      ILE  57 -19.643   5.210  -3.080
  693   2HG1  ILE  57          2HG1      ILE  57 -17.959   4.697  -3.031
  694   1HG2  ILE  57          1HG2      ILE  57 -16.939   3.952  -0.909
  695   2HG2  ILE  57          2HG2      ILE  57 -18.183   2.719  -0.699
  696   3HG2  ILE  57          3HG2      ILE  57 -17.895   3.905   0.573
  697   1HD1  ILE  57          1HD1      ILE  57 -18.674   2.390  -2.697
  698   2HD1  ILE  57          2HD1      ILE  57 -19.351   3.071  -4.178
  699   3HD1  ILE  57          3HD1      ILE  57 -20.360   2.906  -2.740
  700    H    ASP  58           H        ASP  58 -21.242   2.862   1.176
  701    HA   ASP  58           HA       ASP  58 -20.552   4.608   3.438
  702   1HB   ASP  58          1HB       ASP  58 -23.070   3.240   2.742
  703   2HB   ASP  58          2HB       ASP  58 -22.556   3.008   4.408
  704    H    LYS  59           H        LYS  59 -20.673   3.123   5.541
  705    HA   LYS  59           HA       LYS  59 -18.440   1.420   5.319
  706   1HB   LYS  59          1HB       LYS  59 -19.038   2.638   7.367
  707   2HB   LYS  59          2HB       LYS  59 -20.473   1.639   7.542
  708   1HG   LYS  59          1HG       LYS  59 -19.139  -0.314   7.930
  709   2HG   LYS  59          2HG       LYS  59 -17.657   0.580   7.575
  710   1HD   LYS  59          1HD       LYS  59 -17.962   0.343   9.978
  711   2HD   LYS  59          2HD       LYS  59 -18.085   2.037   9.498
  712   1HE   LYS  59          1HE       LYS  59 -20.566   1.776   9.484
  713   2HE   LYS  59          2HE       LYS  59 -20.348   0.157  10.150
  714   1HZ   LYS  59          1HZ       LYS  59 -19.147   1.211  12.023
  715   2HZ   LYS  59          2HZ       LYS  59 -20.783   1.649  11.932
  716   3HZ   LYS  59          3HZ       LYS  59 -19.585   2.731  11.410
  717    H    THR  60           H        THR  60 -21.904   0.781   5.454
  718    HA   THR  60           HA       THR  60 -21.451  -2.081   5.301
  719    HB   THR  60           HB       THR  60 -23.284  -1.377   6.703
  720    HG1  THR  60           HG1      THR  60 -23.496  -3.300   5.235
  721   1HG2  THR  60          1HG2      THR  60 -24.469  -0.101   4.236
  722   2HG2  THR  60          2HG2      THR  60 -23.820   0.751   5.637
  723   3HG2  THR  60          3HG2      THR  60 -25.264  -0.246   5.803
  724    H    GLN  61           H        GLN  61 -22.403   0.569   3.204
  725    HA   GLN  61           HA       GLN  61 -23.448  -1.051   1.109
  726   1HB   GLN  61          1HB       GLN  61 -22.442   1.791   1.035
  727   2HB   GLN  61          2HB       GLN  61 -23.344   1.008  -0.249
  728   1HG   GLN  61          1HG       GLN  61 -24.357   1.533   2.535
  729   2HG   GLN  61          2HG       GLN  61 -24.731   2.493   1.107
  730   1HE2  GLN  61          1HE2      GLN  61 -26.540   1.110   2.854
  731   2HE2  GLN  61          2HE2      GLN  61 -27.390  -0.042   1.880
  732    H    ARG  62           H        ARG  62 -20.250  -0.085   2.003
  733    HA   ARG  62           HA       ARG  62 -19.091  -0.235  -0.582
  734   1HB   ARG  62          1HB       ARG  62 -16.930  -0.198   0.588
  735   2HB   ARG  62          2HB       ARG  62 -18.021   1.049   1.167
  736   1HG   ARG  62          1HG       ARG  62 -18.596  -0.509   3.069
  737   2HG   ARG  62          2HG       ARG  62 -17.238  -1.505   2.537
  738   1HD   ARG  62          1HD       ARG  62 -15.735   0.406   2.803
  739   2HD   ARG  62          2HD       ARG  62 -17.089   1.402   3.329
  740    HE   ARG  62           HE       ARG  62 -16.821  -0.917   4.950
  741   1HH1  ARG  62          1HH1      ARG  62 -15.626   2.330   4.449
  742   2HH1  ARG  62          2HH1      ARG  62 -14.844   2.413   5.996
  743   1HH2  ARG  62          1HH2      ARG  62 -15.836  -0.754   7.042
  744   2HH2  ARG  62          2HH2      ARG  62 -14.954   0.686   7.444
  745    H    LYS  63           H        LYS  63 -20.062  -2.658   1.634
  746    HA   LYS  63           HA       LYS  63 -18.431  -4.683   0.303
  747   1HB   LYS  63          1HB       LYS  63 -20.357  -4.881   2.621
  748   2HB   LYS  63          2HB       LYS  63 -19.512  -6.255   1.923
  749   1HG   LYS  63          1HG       LYS  63 -17.367  -5.013   2.450
  750   2HG   LYS  63          2HG       LYS  63 -18.359  -3.928   3.421
  751   1HD   LYS  63          1HD       LYS  63 -19.111  -5.765   4.795
  752   2HD   LYS  63          2HD       LYS  63 -18.261  -6.923   3.770
  753   1HE   LYS  63          1HE       LYS  63 -16.124  -5.870   4.396
  754   2HE   LYS  63          2HE       LYS  63 -16.998  -4.767   5.460
  755   1HZ   LYS  63          1HZ       LYS  63 -16.932  -7.725   5.719
  756   2HZ   LYS  63          2HZ       LYS  63 -17.769  -6.665   6.742
  757   3HZ   LYS  63          3HZ       LYS  63 -16.077  -6.633   6.688
  758    H    ARG  64           H        ARG  64 -21.388  -3.177  -0.071
  759    HA   ARG  64           HA       ARG  64 -22.776  -5.508  -1.144
  760   1HB   ARG  64          1HB       ARG  64 -23.717  -2.638  -0.989
  761   2HB   ARG  64          2HB       ARG  64 -24.706  -4.053  -1.323
  762   1HG   ARG  64          1HG       ARG  64 -24.310  -4.888   0.918
  763   2HG   ARG  64          2HG       ARG  64 -23.258  -3.513   1.259
  764   1HD   ARG  64          1HD       ARG  64 -25.186  -2.010   0.825
  765   2HD   ARG  64          2HD       ARG  64 -26.207  -3.437   0.655
  766    HE   ARG  64           HE       ARG  64 -24.719  -3.216   3.139
  767   1HH1  ARG  64          1HH1      ARG  64 -27.742  -2.708   1.451
  768   2HH1  ARG  64          2HH1      ARG  64 -28.686  -2.590   2.913
  769   1HH2  ARG  64          1HH2      ARG  64 -25.929  -3.041   5.053
  770   2HH2  ARG  64          2HH2      ARG  64 -27.652  -2.797   4.971
  771    H    CYS  65           H        CYS  65 -21.583  -2.351  -2.174
  772    HA   CYS  65           HA       CYS  65 -21.598  -3.345  -4.941
  773   1HB   CYS  65          1HB       CYS  65 -21.908  -0.544  -3.866
  774   2HB   CYS  65          2HB       CYS  65 -21.488  -0.863  -5.545
  775    HG   CYS  65           HG       CYS  65 -24.432  -0.592  -4.297
  776    HA   PRO  66           HA       PRO  66 -17.189  -3.137  -3.624
  777   1HB   PRO  66          1HB       PRO  66 -16.932  -5.203  -5.710
  778   2HB   PRO  66          2HB       PRO  66 -16.423  -5.245  -4.021
  779   1HG   PRO  66          1HG       PRO  66 -18.510  -6.685  -4.897
  780   2HG   PRO  66          2HG       PRO  66 -18.486  -5.965  -3.276
  781   1HD   PRO  66          1HD       PRO  66 -19.891  -5.026  -5.748
  782   2HD   PRO  66          2HD       PRO  66 -20.464  -5.051  -4.067
  783    H    PHE  67           H        PHE  67 -18.626  -3.292  -6.838
  784    HA   PHE  67           HA       PHE  67 -16.424  -2.272  -8.272
  785   1HB   PHE  67          1HB       PHE  67 -18.240  -3.365  -9.446
  786   2HB   PHE  67          2HB       PHE  67 -19.383  -2.149  -8.882
  787    HD1  PHE  67           HD1      PHE  67 -19.839  -0.302 -10.196
  788    HD2  PHE  67           HD2      PHE  67 -16.264  -2.509 -10.874
  789    HE1  PHE  67           HE1      PHE  67 -19.371   1.072 -12.179
  790    HE2  PHE  67           HE2      PHE  67 -15.793  -1.142 -12.861
  791    HZ   PHE  67           HZ       PHE  67 -17.347   0.652 -13.516
  792    H    CYS  68           H        CYS  68 -19.257  -0.692  -6.845
  793    HA   CYS  68           HA       CYS  68 -18.671   1.912  -7.694
  794   1HB   CYS  68          1HB       CYS  68 -20.081   1.127  -5.134
  795   2HB   CYS  68          2HB       CYS  68 -20.268   2.631  -6.032
  796    HG   CYS  68           HG       CYS  68 -21.859   1.744  -7.938
  797    H    ARG  69           H        ARG  69 -17.719   0.100  -4.823
  798    HA   ARG  69           HA       ARG  69 -16.327   2.150  -3.494
  799   1HB   ARG  69          1HB       ARG  69 -16.896   0.041  -2.405
  800   2HB   ARG  69          2HB       ARG  69 -15.849  -0.837  -3.510
  801   1HG   ARG  69          1HG       ARG  69 -13.914   0.399  -2.596
  802   2HG   ARG  69          2HG       ARG  69 -14.997   1.157  -1.426
  803   1HD   ARG  69          1HD       ARG  69 -15.583  -1.046  -0.541
  804   2HD   ARG  69          2HD       ARG  69 -14.505  -1.804  -1.713
  805    HE   ARG  69           HE       ARG  69 -13.012   0.050  -0.268
  806   1HH1  ARG  69          1HH1      ARG  69 -14.701  -2.967   0.266
  807   2HH1  ARG  69          2HH1      ARG  69 -13.692  -3.447   1.591
  808   1HH2  ARG  69          1HH2      ARG  69 -11.678  -0.572   1.479
  809   2HH2  ARG  69          2HH2      ARG  69 -11.982  -2.068   2.301
  810    H    PHE  70           H        PHE  70 -15.178  -0.378  -5.705
  811    HA   PHE  70           HA       PHE  70 -12.493   0.399  -5.799
  812   1HB   PHE  70          1HB       PHE  70 -13.217  -1.772  -6.597
  813   2HB   PHE  70          2HB       PHE  70 -14.201  -1.026  -7.850
  814    HD1  PHE  70           HD1      PHE  70 -10.669  -1.304  -6.701
  815    HD2  PHE  70           HD2      PHE  70 -13.338  -0.752  -9.970
  816    HE1  PHE  70           HE1      PHE  70  -8.777  -1.450  -8.268
  817    HE2  PHE  70           HE2      PHE  70 -11.451  -0.895 -11.541
  818    HZ   PHE  70           HZ       PHE  70  -9.167  -1.244 -10.691
  819    H    GLN  71           H        GLN  71 -15.189   1.254  -7.976
  820    HA   GLN  71           HA       GLN  71 -13.580   2.750  -9.731
  821   1HB   GLN  71          1HB       GLN  71 -15.592   3.517 -10.761
  822   2HB   GLN  71          2HB       GLN  71 -15.837   1.845 -10.290
  823   1HG   GLN  71          1HG       GLN  71 -17.768   2.548  -9.466
  824   2HG   GLN  71          2HG       GLN  71 -16.811   3.177  -8.128
  825   1HE2  GLN  71          1HE2      GLN  71 -15.583   5.256  -9.797
  826   2HE2  GLN  71          2HE2      GLN  71 -16.800   6.457 -10.010
  827    H    LYS  72           H        LYS  72 -15.219   3.647  -6.730
  828    HA   LYS  72           HA       LYS  72 -14.678   6.434  -7.093
  829   1HB   LYS  72          1HB       LYS  72 -16.466   5.747  -5.567
  830   2HB   LYS  72          2HB       LYS  72 -15.278   4.975  -4.516
  831   1HG   LYS  72          1HG       LYS  72 -14.212   7.096  -4.089
  832   2HG   LYS  72          2HG       LYS  72 -15.294   7.901  -5.222
  833   1HD   LYS  72          1HD       LYS  72 -16.153   6.533  -2.680
  834   2HD   LYS  72          2HD       LYS  72 -15.879   8.264  -2.869
  835   1HE   LYS  72          1HE       LYS  72 -17.612   8.208  -4.706
  836   2HE   LYS  72          2HE       LYS  72 -18.002   6.577  -4.158
  837   1HZ   LYS  72          1HZ       LYS  72 -18.487   7.476  -1.959
  838   2HZ   LYS  72          2HZ       LYS  72 -19.455   8.218  -3.135
  839   3HZ   LYS  72          3HZ       LYS  72 -18.118   9.037  -2.497
  840    H    CYS  73           H        CYS  73 -12.892   3.724  -5.774
  841    HA   CYS  73           HA       CYS  73 -10.831   5.139  -4.519
  842   1HB   CYS  73          1HB       CYS  73 -10.619   2.574  -6.116
  843   2HB   CYS  73          2HB       CYS  73  -9.401   3.182  -5.001
  844    HG   CYS  73           HG       CYS  73 -12.573   2.290  -4.074
  845    H    LEU  74           H        LEU  74 -11.257   4.218  -7.936
  846    HA   LEU  74           HA       LEU  74  -8.940   5.585  -8.854
  847   1HB   LEU  74          1HB       LEU  74 -11.486   4.802 -10.265
  848   2HB   LEU  74          2HB       LEU  74 -10.158   5.591 -11.080
  849    HG   LEU  74           HG       LEU  74  -8.718   3.625 -10.271
  850   1HD1  LEU  74          1HD1      LEU  74 -10.176   2.670  -8.656
  851   2HD1  LEU  74          2HD1      LEU  74 -10.040   1.533  -9.997
  852   3HD1  LEU  74          3HD1      LEU  74 -11.480   2.539  -9.831
  853   1HD2  LEU  74          1HD2      LEU  74  -9.404   2.251 -12.164
  854   2HD2  LEU  74          2HD2      LEU  74  -9.355   3.963 -12.592
  855   3HD2  LEU  74          3HD2      LEU  74 -10.903   3.172 -12.290
  856    H    THR  75           H        THR  75 -12.267   6.551  -8.332
  857    HA   THR  75           HA       THR  75 -12.307   9.090  -9.436
  858    HB   THR  75           HB       THR  75 -13.675   7.975  -6.987
  859    HG1  THR  75           HG1      THR  75 -14.155   8.005  -9.711
  860   1HG2  THR  75          1HG2      THR  75 -14.364  10.561  -8.388
  861   2HG2  THR  75          2HG2      THR  75 -13.541  10.450  -6.832
  862   3HG2  THR  75          3HG2      THR  75 -15.190   9.846  -6.998
  863    H    VAL  76           H        VAL  76 -11.259   8.125  -6.162
  864    HA   VAL  76           HA       VAL  76 -10.765  10.839  -5.396
  865    HB   VAL  76           HB       VAL  76  -9.857   9.924  -3.309
  866   1HG1  VAL  76          1HG1      VAL  76 -12.255  10.271  -3.543
  867   2HG1  VAL  76          2HG1      VAL  76 -11.921   8.873  -2.519
  868   3HG1  VAL  76          3HG1      VAL  76 -12.440   8.640  -4.188
  869   1HG2  VAL  76          1HG2      VAL  76 -10.350   7.225  -4.565
  870   2HG2  VAL  76          2HG2      VAL  76  -9.891   7.516  -2.888
  871   3HG2  VAL  76          3HG2      VAL  76  -8.774   7.921  -4.191
  872    H    GLY  77           H        GLY  77  -8.879   8.441  -7.005
  873   1HA   GLY  77          1HA       GLY  77  -7.059   9.807  -8.192
  874   2HA   GLY  77          2HA       GLY  77  -6.482  10.100  -6.563
  875    H    MET  78           H        MET  78  -7.638   7.014  -6.497
  876    HA   MET  78           HA       MET  78  -4.984   5.925  -6.535
  877   1HB   MET  78          1HB       MET  78  -7.659   4.539  -6.265
  878   2HB   MET  78          2HB       MET  78  -6.093   3.784  -5.999
  879   1HG   MET  78          1HG       MET  78  -5.657   5.276  -4.141
  880   2HG   MET  78          2HG       MET  78  -7.184   6.107  -4.427
  881   1HE   MET  78          1HE       MET  78  -5.475   2.763  -3.281
  882   2HE   MET  78          2HE       MET  78  -6.455   2.259  -4.658
  883   3HE   MET  78          3HE       MET  78  -6.876   1.721  -3.031
  884    H    ARG  79           H        ARG  79  -3.935   5.155  -8.228
  885    HA   ARG  79           HA       ARG  79  -5.478   4.656 -10.682
  886   1HB   ARG  79          1HB       ARG  79  -2.634   5.595 -10.315
  887   2HB   ARG  79          2HB       ARG  79  -3.324   5.151 -11.870
  888   1HG   ARG  79          1HG       ARG  79  -4.297   7.369 -10.079
  889   2HG   ARG  79          2HG       ARG  79  -3.336   7.559 -11.549
  890   1HD   ARG  79          1HD       ARG  79  -5.135   6.557 -12.860
  891   2HD   ARG  79          2HD       ARG  79  -6.091   6.348 -11.396
  892    HE   ARG  79           HE       ARG  79  -5.324   9.070 -11.786
  893   1HH1  ARG  79          1HH1      ARG  79  -7.585   6.604 -12.800
  894   2HH1  ARG  79          2HH1      ARG  79  -8.833   7.726 -13.240
  895   1HH2  ARG  79          1HH2      ARG  79  -6.974  10.566 -12.360
  896   2HH2  ARG  79          2HH2      ARG  79  -8.484   9.981 -12.989
  897    H    LEU  80           H        LEU  80  -4.631   3.081 -12.184
  898    HA   LEU  80           HA       LEU  80  -4.158   0.602 -10.804
  899   1HB   LEU  80          1HB       LEU  80  -4.335   1.187 -13.765
  900   2HB   LEU  80          2HB       LEU  80  -4.267  -0.411 -13.058
  901    HG   LEU  80           HG       LEU  80  -6.514  -0.139 -13.572
  902   1HD1  LEU  80          1HD1      LEU  80  -7.713   0.139 -11.438
  903   2HD1  LEU  80          2HD1      LEU  80  -6.214   0.710 -10.704
  904   3HD1  LEU  80          3HD1      LEU  80  -6.319  -0.938 -11.324
  905   1HD2  LEU  80          1HD2      LEU  80  -6.316   2.298 -14.079
  906   2HD2  LEU  80          2HD2      LEU  80  -6.558   2.611 -12.358
  907   3HD2  LEU  80          3HD2      LEU  80  -7.819   1.818 -13.297
  908    H    GLU  81           H        GLU  81  -2.259   2.969 -12.385
  909    HA   GLU  81           HA       GLU  81  -0.071   1.326 -13.155
  910   1HB   GLU  81          1HB       GLU  81  -0.091   4.284 -12.545
  911   2HB   GLU  81          2HB       GLU  81   1.161   3.417 -13.419
  912   1HG   GLU  81          1HG       GLU  81  -0.457   2.879 -15.171
  913   2HG   GLU  81          2HG       GLU  81  -1.683   3.805 -14.306
  914    H    ALA  82           H        ALA  82  -1.127   2.611 -10.164
  915    HA   ALA  82           HA       ALA  82   1.480   2.655  -8.922
  916   1HB   ALA  82          1HB       ALA  82  -1.255   2.995  -7.700
  917   2HB   ALA  82          2HB       ALA  82  -0.230   4.296  -8.306
  918   3HB   ALA  82          3HB       ALA  82   0.287   3.339  -6.917
  919    H    VAL  83           H        VAL  83  -0.493   0.212  -9.805
  920    HA   VAL  83           HA       VAL  83   0.518  -1.495  -7.640
  921    HB   VAL  83           HB       VAL  83  -1.851  -1.242  -7.226
  922   1HG1  VAL  83          1HG1      VAL  83  -3.542  -1.904  -8.866
  923   2HG1  VAL  83          2HG1      VAL  83  -2.272  -2.161 -10.064
  924   3HG1  VAL  83          3HG1      VAL  83  -2.575  -0.541  -9.437
  925   1HG2  VAL  83          1HG2      VAL  83  -1.086  -3.415  -6.709
  926   2HG2  VAL  83          2HG2      VAL  83  -1.076  -3.893  -8.407
  927   3HG2  VAL  83          3HG2      VAL  83  -2.612  -3.631  -7.579
  928    H    ARG  84           H        ARG  84   1.394  -3.404  -8.264
  929    HA   ARG  84           HA       ARG  84   1.276  -4.059 -11.129
  930   1HB   ARG  84          1HB       ARG  84   3.633  -4.233  -9.255
  931   2HB   ARG  84          2HB       ARG  84   3.591  -5.006 -10.833
  932   1HG   ARG  84          1HG       ARG  84   3.082  -2.665 -11.746
  933   2HG   ARG  84          2HG       ARG  84   3.637  -2.088 -10.173
  934   1HD   ARG  84          1HD       ARG  84   5.453  -2.097 -11.811
  935   2HD   ARG  84          2HD       ARG  84   5.765  -3.225 -10.490
  936    HE   ARG  84           HE       ARG  84   4.552  -4.755 -12.393
  937   1HH1  ARG  84          1HH1      ARG  84   7.332  -2.630 -12.439
  938   2HH1  ARG  84          2HH1      ARG  84   8.191  -3.564 -13.627
  939   1HH2  ARG  84          1HH2      ARG  84   5.678  -6.002 -13.948
  940   2HH2  ARG  84          2HH2      ARG  84   7.260  -5.486 -14.463
  941    H    ALA  85           H        ALA  85   0.835  -6.108 -11.654
  942    HA   ALA  85           HA       ALA  85  -0.011  -7.884  -9.530
  943   1HB   ALA  85          1HB       ALA  85  -1.425  -7.573 -11.492
  944   2HB   ALA  85          2HB       ALA  85  -0.924  -9.254 -11.311
  945   3HB   ALA  85          3HB       ALA  85  -0.145  -8.228 -12.514
  946    H    ASP  86           H        ASP  86   2.680  -7.493 -11.648
  947    HA   ASP  86           HA       ASP  86   3.601 -10.169 -11.696
  948   1HB   ASP  86          1HB       ASP  86   5.240  -7.630 -11.910
  949   2HB   ASP  86          2HB       ASP  86   5.770  -9.241 -12.374
  950    H    ARG  87           H        ARG  87   5.661  -7.744 -10.262
  951    HA   ARG  87           HA       ARG  87   5.242  -8.205  -7.571
  952   1HB   ARG  87          1HB       ARG  87   6.050 -10.533  -8.260
  953   2HB   ARG  87          2HB       ARG  87   7.625  -9.802  -8.528
  954   1HG   ARG  87          1HG       ARG  87   7.540 -10.867  -6.361
  955   2HG   ARG  87          2HG       ARG  87   7.692  -9.117  -6.176
  956   1HD   ARG  87          1HD       ARG  87   6.050 -10.142  -4.619
  957   2HD   ARG  87          2HD       ARG  87   5.358  -8.908  -5.668
  958    HE   ARG  87           HE       ARG  87   4.594 -10.881  -7.071
  959   1HH1  ARG  87          1HH1      ARG  87   5.089 -11.155  -3.611
  960   2HH1  ARG  87          2HH1      ARG  87   3.810 -12.313  -3.401
  961   1HH2  ARG  87          1HH2      ARG  87   2.925 -12.423  -6.790
  962   2HH2  ARG  87          2HH2      ARG  87   2.581 -13.031  -5.189
  963    H    MET  88           H        MET  88   5.744  -6.074  -7.307
  964    HA   MET  88           HA       MET  88   8.564  -5.384  -7.345
  965   1HB   MET  88          1HB       MET  88   7.577  -4.724  -9.597
  966   2HB   MET  88          2HB       MET  88   6.557  -3.590  -8.729
  967   1HG   MET  88          1HG       MET  88   9.554  -3.527  -8.552
  968   2HG   MET  88          2HG       MET  88   8.657  -2.671  -9.801
  969   1HE   MET  88          1HE       MET  88   6.971  -0.666  -9.305
  970   2HE   MET  88          2HE       MET  88   6.571  -0.110  -7.681
  971   3HE   MET  88          3HE       MET  88   6.059  -1.711  -8.215
  972    H    ARG  89           H        ARG  89   8.813  -4.828  -5.275
  973    HA   ARG  89           HA       ARG  89   6.590  -3.425  -3.943
  974   1HB   ARG  89          1HB       ARG  89   8.740  -5.218  -2.811
  975   2HB   ARG  89          2HB       ARG  89   7.586  -4.326  -1.827
  976   1HG   ARG  89          1HG       ARG  89   5.757  -5.518  -3.049
  977   2HG   ARG  89          2HG       ARG  89   6.997  -6.514  -3.805
  978   1HD   ARG  89          1HD       ARG  89   6.681  -6.254  -0.825
  979   2HD   ARG  89          2HD       ARG  89   5.867  -7.495  -1.773
  980    HE   ARG  89           HE       ARG  89   8.663  -7.500  -2.271
  981   1HH1  ARG  89          1HH1      ARG  89   6.268  -8.455   0.097
  982   2HH1  ARG  89          2HH1      ARG  89   7.228  -9.751   0.731
  983   1HH2  ARG  89          1HH2      ARG  89   9.910  -9.236  -1.472
  984   2HH2  ARG  89          2HH2      ARG  89   9.291 -10.202  -0.154
  985    H    GLY  90           H        GLY  90   8.782  -2.198  -5.524
  986   1HA   GLY  90          1HA       GLY  90  10.564  -0.911  -3.697
  987   2HA   GLY  90          2HA       GLY  90  10.291  -0.463  -5.375
  988    H    GLY  91           H        GLY  91   7.350  -0.239  -4.816
  989   1HA   GLY  91          1HA       GLY  91   5.804   1.187  -3.869
  990   2HA   GLY  91          2HA       GLY  91   7.055   1.763  -2.783
  991    H    ARG  92           H        ARG  92   8.722   3.207  -3.841
  992    HA   ARG  92           HA       ARG  92   7.294   5.445  -4.841
  993   1HB   ARG  92          1HB       ARG  92  10.250   4.944  -4.487
  994   2HB   ARG  92          2HB       ARG  92   9.582   6.487  -5.006
  995   1HG   ARG  92          1HG       ARG  92   8.373   6.713  -2.934
  996   2HG   ARG  92          2HG       ARG  92   8.894   5.109  -2.419
  997   1HD   ARG  92          1HD       ARG  92  10.205   6.867  -1.343
  998   2HD   ARG  92          2HD       ARG  92  11.208   5.856  -2.380
  999    HE   ARG  92           HE       ARG  92  10.367   8.053  -3.882
 1000   1HH1  ARG  92          1HH1      ARG  92  12.322   7.430  -1.056
 1001   2HH1  ARG  92          2HH1      ARG  92  13.433   8.717  -1.378
 1002   1HH2  ARG  92          1HH2      ARG  92  11.799   9.771  -4.305
 1003   2HH2  ARG  92          2HH2      ARG  92  13.141  10.061  -3.238
 1004    H    ASN  93           H        ASN  93   6.536   5.549  -6.809
 1005    HA   ASN  93           HA       ASN  93   8.286   4.898  -9.069
 1006   1HB   ASN  93          1HB       ASN  93   6.665   2.998  -8.463
 1007   2HB   ASN  93          2HB       ASN  93   5.375   4.070  -8.991
 1008   1HD2  ASN  93          1HD2      ASN  93   8.188   2.256 -10.000
 1009   2HD2  ASN  93          2HD2      ASN  93   7.806   2.238 -11.696
 1010    H    LYS  94           H        LYS  94   5.690   5.321 -10.694
 1011    HA   LYS  94           HA       LYS  94   6.195   7.813 -11.676
 1012   1HB   LYS  94          1HB       LYS  94   4.810   6.213 -12.829
 1013   2HB   LYS  94          2HB       LYS  94   3.581   6.309 -11.577
 1014   1HG   LYS  94          1HG       LYS  94   3.100   8.609 -12.199
 1015   2HG   LYS  94          2HG       LYS  94   4.365   8.549 -13.430
 1016   1HD   LYS  94          1HD       LYS  94   3.163   6.761 -14.583
 1017   2HD   LYS  94          2HD       LYS  94   1.906   6.802 -13.346
 1018   1HE   LYS  94          1HE       LYS  94   1.281   9.032 -13.976
 1019   2HE   LYS  94          2HE       LYS  94   2.643   9.146 -15.091
 1020   1HZ   LYS  94          1HZ       LYS  94   1.666   7.423 -16.441
 1021   2HZ   LYS  94          2HZ       LYS  94   0.548   8.680 -16.232
 1022   3HZ   LYS  94          3HZ       LYS  94   0.376   7.235 -15.354
 1023    H    PHE  95           H        PHE  95   3.905   7.045  -9.070
 1024    HA   PHE  95           HA       PHE  95   3.078   9.835  -8.980
 1025   1HB   PHE  95          1HB       PHE  95   2.070   7.486  -7.369
 1026   2HB   PHE  95          2HB       PHE  95   1.342   9.088  -7.441
 1027    HD1  PHE  95           HD1      PHE  95   0.555   9.905  -9.751
 1028    HD2  PHE  95           HD2      PHE  95   1.403   5.836  -8.840
 1029    HE1  PHE  95           HE1      PHE  95  -0.802   9.194 -11.675
 1030    HE2  PHE  95           HE2      PHE  95   0.049   5.121 -10.759
 1031    HZ   PHE  95           HZ       PHE  95  -1.054   6.799 -12.183
 1032    H    GLY  96           H        GLY  96   5.641   8.314  -7.811
 1033   1HA   GLY  96          1HA       GLY  96   5.765   8.683  -5.068
 1034   2HA   GLY  96          2HA       GLY  96   7.143   8.816  -6.147
 1035    HA   PRO  97           HA       PRO  97   7.458  13.272  -5.918
 1036   1HB   PRO  97          1HB       PRO  97   5.816  13.712  -8.367
 1037   2HB   PRO  97          2HB       PRO  97   7.401  14.366  -7.940
 1038   1HG   PRO  97          1HG       PRO  97   7.186  12.397  -9.710
 1039   2HG   PRO  97          2HG       PRO  97   8.511  12.419  -8.529
 1040   1HD   PRO  97          1HD       PRO  97   6.037  10.753  -8.573
 1041   2HD   PRO  97          2HD       PRO  97   7.671  10.339  -8.019
 1042    H    MET  98           H        MET  98   4.142  12.406  -6.997
 1043    HA   MET  98           HA       MET  98   3.040  14.789  -5.876
 1044   1HB   MET  98          1HB       MET  98   0.865  13.925  -6.434
 1045   2HB   MET  98          2HB       MET  98   1.960  13.609  -7.769
 1046   1HG   MET  98          1HG       MET  98   2.112  11.305  -7.196
 1047   2HG   MET  98          2HG       MET  98   1.248  11.569  -5.683
 1048   1HE   MET  98          1HE       MET  98  -2.358  12.377  -6.890
 1049   2HE   MET  98          2HE       MET  98  -1.066  13.512  -6.498
 1050   3HE   MET  98          3HE       MET  98  -1.315  12.079  -5.500
 1051    H    TYR  99           H        TYR  99   3.543  11.528  -4.689
 1052    HA   TYR  99           HA       TYR  99   1.866  11.693  -2.418
 1053   1HB   TYR  99          1HB       TYR  99   4.412  10.103  -2.808
 1054   2HB   TYR  99          2HB       TYR  99   3.299   9.896  -1.463
 1055    HD1  TYR  99           HD1      TYR  99   0.683   9.996  -2.836
 1056    HD2  TYR  99           HD2      TYR  99   4.322   8.111  -3.976
 1057    HE1  TYR  99           HE1      TYR  99  -0.585   8.341  -4.140
 1058    HE2  TYR  99           HE2      TYR  99   3.063   6.456  -5.281
 1059    HH   TYR  99           HH       TYR  99  -0.150   6.836  -6.108
 1060    H    LYS 100           H        LYS 100   5.360  12.254  -2.788
 1061    HA   LYS 100           HA       LYS 100   5.730  13.057  -0.103
 1062   1HB   LYS 100          1HB       LYS 100   7.939  13.854  -0.826
 1063   2HB   LYS 100          2HB       LYS 100   7.604  12.224  -1.393
 1064   1HG   LYS 100          1HG       LYS 100   7.044  13.144  -3.609
 1065   2HG   LYS 100          2HG       LYS 100   7.459  14.755  -3.021
 1066   1HD   LYS 100          1HD       LYS 100   9.339  12.395  -3.123
 1067   2HD   LYS 100          2HD       LYS 100   9.296  13.715  -4.293
 1068   1HE   LYS 100          1HE       LYS 100   9.786  14.103  -1.344
 1069   2HE   LYS 100          2HE       LYS 100  11.075  13.902  -2.528
 1070   1HZ   LYS 100          1HZ       LYS 100  10.365  15.889  -3.645
 1071   2HZ   LYS 100          2HZ       LYS 100  10.606  16.239  -2.001
 1072   3HZ   LYS 100          3HZ       LYS 100   9.034  16.062  -2.607
 1073    H    ARG 101           H        ARG 101   4.886  14.837  -3.018
 1074    HA   ARG 101           HA       ARG 101   5.481  17.394  -1.954
 1075   1HB   ARG 101          1HB       ARG 101   5.125  16.917  -4.399
 1076   2HB   ARG 101          2HB       ARG 101   3.402  16.791  -4.059
 1077   1HG   ARG 101          1HG       ARG 101   3.361  19.092  -3.283
 1078   2HG   ARG 101          2HG       ARG 101   5.094  19.233  -3.577
 1079   1HD   ARG 101          1HD       ARG 101   2.996  18.671  -5.668
 1080   2HD   ARG 101          2HD       ARG 101   3.762  20.232  -5.379
 1081    HE   ARG 101           HE       ARG 101   5.272  17.847  -6.244
 1082   1HH1  ARG 101          1HH1      ARG 101   4.557  21.267  -6.445
 1083   2HH1  ARG 101          2HH1      ARG 101   5.742  21.575  -7.674
 1084   1HH2  ARG 101          1HH2      ARG 101   6.838  18.241  -7.854
 1085   2HH2  ARG 101          2HH2      ARG 101   7.027  19.853  -8.491
 1086    H    ASP 102           H        ASP 102   2.388  15.642  -2.295
 1087    HA   ASP 102           HA       ASP 102   0.817  17.577  -0.992
 1088   1HB   ASP 102          1HB       ASP 102  -0.108  15.729  -2.380
 1089   2HB   ASP 102          2HB       ASP 102   0.322  14.591  -1.107
 1090    H    ARG 103           H        ARG 103   2.696  14.867   0.197
 1091    HA   ARG 103           HA       ARG 103   1.791  14.907   2.863
 1092   1HB   ARG 103          1HB       ARG 103   3.089  13.058   1.806
 1093   2HB   ARG 103          2HB       ARG 103   4.516  14.084   1.850
 1094   1HG   ARG 103          1HG       ARG 103   4.387  14.157   4.291
 1095   2HG   ARG 103          2HG       ARG 103   2.959  13.119   4.241
 1096   1HD   ARG 103          1HD       ARG 103   4.278  11.359   3.175
 1097   2HD   ARG 103          2HD       ARG 103   5.703  12.397   3.219
 1098    HE   ARG 103           HE       ARG 103   4.333  11.325   5.610
 1099   1HH1  ARG 103          1HH1      ARG 103   7.207  12.470   3.954
 1100   2HH1  ARG 103          2HH1      ARG 103   8.276  12.074   5.273
 1101   1HH2  ARG 103          1HH2      ARG 103   5.744  10.817   7.353
 1102   2HH2  ARG 103          2HH2      ARG 103   7.443  11.155   7.196
 1103    H    ALA 104           H        ALA 104   4.564  16.486   1.292
 1104    HA   ALA 104           HA       ALA 104   5.544  17.781   3.601
 1105   1HB   ALA 104          1HB       ALA 104   5.803  18.635   0.718
 1106   2HB   ALA 104          2HB       ALA 104   6.871  17.510   1.558
 1107   3HB   ALA 104          3HB       ALA 104   6.795  19.198   2.063
 1108    H    LEU 105           H        LEU 105   3.179  18.704   1.171
 1109    HA   LEU 105           HA       LEU 105   2.736  21.345   2.087
 1110   1HB   LEU 105          1HB       LEU 105   0.911  19.472   0.574
 1111   2HB   LEU 105          2HB       LEU 105   0.636  21.192   0.780
 1112    HG   LEU 105           HG       LEU 105   3.063  20.058  -0.606
 1113   1HD1  LEU 105          1HD1      LEU 105   0.477  21.044  -1.802
 1114   2HD1  LEU 105          2HD1      LEU 105   1.101  19.393  -1.852
 1115   3HD1  LEU 105          3HD1      LEU 105   1.949  20.681  -2.705
 1116   1HD2  LEU 105          1HD2      LEU 105   3.280  22.330  -1.481
 1117   2HD2  LEU 105          2HD2      LEU 105   3.336  22.310   0.282
 1118   3HD2  LEU 105          3HD2      LEU 105   1.868  22.826  -0.548
 1119    H    LYS 106           H        LYS 106   1.209  18.246   2.808
 1120    HA   LYS 106           HA       LYS 106  -0.784  19.206   4.553
 1121   1HB   LYS 106          1HB       LYS 106  -0.762  16.945   3.567
 1122   2HB   LYS 106          2HB       LYS 106   0.629  16.537   4.560
 1123   1HG   LYS 106          1HG       LYS 106  -0.697  16.798   6.572
 1124   2HG   LYS 106          2HG       LYS 106  -2.093  17.281   5.605
 1125   1HD   LYS 106          1HD       LYS 106  -2.051  15.100   4.484
 1126   2HD   LYS 106          2HD       LYS 106  -0.682  14.619   5.487
 1127   1HE   LYS 106          1HE       LYS 106  -2.761  13.708   6.363
 1128   2HE   LYS 106          2HE       LYS 106  -2.063  14.871   7.489
 1129   1HZ   LYS 106          1HZ       LYS 106  -4.512  15.065   7.139
 1130   2HZ   LYS 106          2HZ       LYS 106  -4.196  15.567   5.547
 1131   3HZ   LYS 106          3HZ       LYS 106  -3.645  16.495   6.855
 1132    H    GLN 107           H        GLN 107   2.542  18.167   5.072
 1133    HA   GLN 107           HA       GLN 107   2.392  18.547   7.937
 1134   1HB   GLN 107          1HB       GLN 107   4.706  17.848   6.123
 1135   2HB   GLN 107          2HB       GLN 107   4.798  17.907   7.878
 1136   1HG   GLN 107          1HG       GLN 107   3.163  16.119   8.044
 1137   2HG   GLN 107          2HG       GLN 107   3.008  16.082   6.289
 1138   1HE2  GLN 107          1HE2      GLN 107   3.836  13.994   8.165
 1139   2HE2  GLN 107          2HE2      GLN 107   5.406  13.487   7.646
 1140    H    GLN 108           H        GLN 108   2.342  20.766   5.685
 1141    HA   GLN 108           HA       GLN 108   4.505  22.489   6.221
 1142   1HB   GLN 108          1HB       GLN 108   2.875  22.672   4.306
 1143   2HB   GLN 108          2HB       GLN 108   1.703  23.311   5.447
 1144   1HG   GLN 108          1HG       GLN 108   2.738  25.109   4.227
 1145   2HG   GLN 108          2HG       GLN 108   3.205  25.187   5.925
 1146   1HE2  GLN 108          1HE2      GLN 108   5.007  26.444   5.373
 1147   2HE2  GLN 108          2HE2      GLN 108   6.417  25.748   4.648
 1148    H    LYS 109           H        LYS 109   1.454  21.928   7.831
 1149    HA   LYS 109           HA       LYS 109   1.868  24.064   9.744
 1150   1HB   LYS 109          1HB       LYS 109  -0.188  21.854   9.583
 1151   2HB   LYS 109          2HB       LYS 109  -0.151  23.062  10.859
 1152   1HG   LYS 109          1HG       LYS 109  -0.459  23.667   7.927
 1153   2HG   LYS 109          2HG       LYS 109  -1.785  23.565   9.086
 1154   1HD   LYS 109          1HD       LYS 109   0.526  25.505   9.218
 1155   2HD   LYS 109          2HD       LYS 109  -1.109  25.888   8.676
 1156   1HE   LYS 109          1HE       LYS 109  -1.936  25.187  10.925
 1157   2HE   LYS 109          2HE       LYS 109  -0.256  25.021  11.435
 1158   1HZ   LYS 109          1HZ       LYS 109   0.063  27.386  10.887
 1159   2HZ   LYS 109          2HZ       LYS 109  -1.096  27.156  12.101
 1160   3HZ   LYS 109          3HZ       LYS 109  -1.589  27.514  10.519
 1161    H    LYS 110           H        LYS 110   2.366  23.771  11.929
 1162    HA   LYS 110           HA       LYS 110   4.234  21.690  12.437
 1163   1HB   LYS 110          1HB       LYS 110   4.249  24.041  13.415
 1164   2HB   LYS 110          2HB       LYS 110   2.982  23.488  14.505
 1165   1HG   LYS 110          1HG       LYS 110   5.182  23.411  15.557
 1166   2HG   LYS 110          2HG       LYS 110   4.468  21.803  15.419
 1167   1HD   LYS 110          1HD       LYS 110   6.820  21.730  14.823
 1168   2HD   LYS 110          2HD       LYS 110   5.821  21.391  13.409
 1169   1HE   LYS 110          1HE       LYS 110   6.070  23.781  12.745
 1170   2HE   LYS 110          2HE       LYS 110   7.202  23.987  14.082
 1171   1HZ   LYS 110          1HZ       LYS 110   7.524  22.186  11.744
 1172   2HZ   LYS 110          2HZ       LYS 110   8.577  22.222  13.074
 1173   3HZ   LYS 110          3HZ       LYS 110   8.419  23.588  12.079
 1174    H    ALA 111           H        ALA 111   3.798  19.693  12.993
 1175    HA   ALA 111           HA       ALA 111   1.749  19.101  14.938
 1176   1HB   ALA 111          1HB       ALA 111   1.615  17.884  12.177
 1177   2HB   ALA 111          2HB       ALA 111   0.479  19.058  12.841
 1178   3HB   ALA 111          3HB       ALA 111   0.600  17.448  13.551
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  28.674   1.373  -1.530
    2   2H5*    G   1          2H5*        G   1  28.637  -0.343  -1.083
    3    H4*    G   1           H4*        G   1  28.485   0.930   0.901
    4    H3*    G   1           H3*        G   1  26.672  -1.013   0.432
    5    H1*    G   1           H1*        G   1  25.455   2.546   1.575
    6    H8     G   1           H8         G   1  24.596   1.509  -2.029
    7    H1     G   1           H1         G   1  22.766   7.430  -0.357
    8   1H2     G   1          1H2         G   1  23.518   7.921   1.649
    9   2H2     G   1          2H2         G   1  24.473   6.798   2.592
   10    H5T    G   1           H5T        G   1  26.155   0.229  -1.457
   11   1H2*    G   1          1H2*        G   1  24.844   0.285  -0.357
   12   2H2*    G   1          2H2*        G   1  24.525   0.387   1.369
   13   1H5*    G   2          1H5*        G   2  26.719   0.912   4.506
   14   2H5*    G   2          2H5*        G   2  26.207   0.034   5.961
   15    H4*    G   2           H4*        G   2  25.425   2.314   6.013
   16    H3*    G   2           H3*        G   2  23.777   0.155   6.528
   17    H1*    G   2           H1*        G   2  22.744   3.305   4.503
   18    H8     G   2           H8         G   2  23.142   0.112   2.331
   19    H1     G   2           H1         G   2  20.125   5.050  -0.451
   20   1H2     G   2          1H2         G   2  20.013   6.754   0.948
   21   2H2     G   2          2H2         G   2  20.684   6.681   2.563
   22   1H2*    G   2          1H2*        G   2  22.372   0.279   4.632
   23   2H2*    G   2          2H2*        G   2  21.588   1.528   5.590
   24   1H5*    C   3          1H5*        C   3  22.227   4.276   8.153
   25   2H5*    C   3          2H5*        C   3  21.188   4.140   9.586
   26    H4*    C   3           H4*        C   3  20.290   5.696   7.948
   27    H3*    C   3           H3*        C   3  18.779   3.672   9.169
   28    H1*    C   3           H1*        C   3  18.501   5.032   5.586
   29   1H4     C   3          1H4         C   3  18.489   1.028   0.680
   30   2H4     C   3          2H4         C   3  19.420  -0.162   1.560
   31    H5     C   3           H5         C   3  20.114   0.150   3.861
   32    H6     C   3           H6         C   3  20.055   1.662   5.774
   33   1H2*    C   3          1H2*        C   3  18.211   2.463   7.222
   34   2H2*    C   3          2H2*        C   3  17.046   3.766   7.027
   35   1H5*    T   4          1H5*        T   4  16.949   7.575   7.951
   36   2H5*    T   4          2H5*        T   4  15.707   8.317   8.983
   37    H4*    T   4           H4*        T   4  15.135   8.761   6.733
   38    H3*    T   4           H3*        T   4  13.324   7.437   8.380
   39   1H2*    T   4          1H2*        T   4  13.314   5.351   7.252
   40   2H2*    T   4          2H2*        T   4  12.185   6.208   6.213
   41    H1*    T   4           H1*        T   4  13.908   6.827   4.635
   42    H3     T   4           H3         T   4  14.505   3.100   2.253
   43   1H5M    T   4          1H5M        T   4  16.183   2.085   7.286
   44   2H5M    T   4          2H5M        T   4  15.166   0.851   6.502
   45   3H5M    T   4          3H5M        T   4  16.810   1.166   5.898
   46    H6     T   4           H6         T   4  15.231   4.162   6.849
   47   1H5*    C   5          1H5*        C   5  12.478   8.887   4.218
   48   2H5*    C   5          2H5*        C   5  11.156  10.067   4.331
   49    H4*    C   5           H4*        C   5  11.185   9.293   2.110
   50    H3*    C   5           H3*        C   5   8.864   9.153   3.434
   51    H1*    C   5           H1*        C   5  10.110   6.051   1.481
   52   1H4     C   5          1H4         C   5  11.994   0.828   4.511
   53   2H4     C   5          2H4         C   5  11.979   1.637   6.063
   54    H5     C   5           H5         C   5  11.396   3.973   6.324
   55    H6     C   5           H6         C   5  10.710   6.000   5.153
   56   1H2*    C   5          1H2*        C   5   9.040   6.885   4.215
   57   2H2*    C   5          2H2*        C   5   8.147   6.657   2.720
   58   1H5*    A   6          1H5*        A   6   8.048   8.105  -1.441
   59   2H5*    A   6          2H5*        A   6   6.316   8.454  -1.621
   60    H4*    A   6           H4*        A   6   7.086   6.399  -2.772
   61    H3*    A   6           H3*        A   6   4.698   6.709  -1.365
   62    H1*    A   6           H1*        A   6   6.930   3.615  -1.558
   63    H8     A   6           H8         A   6   7.268   5.182   1.984
   64   1H6     A   6          1H6         A   6   9.143  -0.452   3.725
   65   2H6     A   6          2H6         A   6   8.847   1.191   4.249
   66    H2     A   6           H2         A   6   8.129  -0.610  -0.646
   67   1H2*    A   6          1H2*        A   6   5.174   5.190   0.397
   68   2H2*    A   6          2H2*        A   6   4.663   4.021  -0.813
   69   1H5*    G   7          1H5*        G   7   6.095   2.682  -2.967
   70   2H5*    G   7          2H5*        G   7   5.087   2.689  -4.429
   71    H4*    G   7           H4*        G   7   5.573   0.453  -4.097
   72    H3*    G   7           H3*        G   7   2.879   1.187  -3.726
   73    H1*    G   7           H1*        G   7   4.929  -1.510  -1.850
   74    H8     G   7           H8         G   7   3.595   1.352   0.409
   75    H1     G   7           H1         G   7   6.296  -3.623   3.441
   76   1H2     G   7          1H2         G   7   7.054  -5.079   1.963
   77   2H2     G   7          2H2         G   7   6.900  -4.815   0.239
   78   1H2*    G   7          1H2*        G   7   2.623   0.464  -1.504
   79   2H2*    G   7          2H2*        G   7   2.602  -1.138  -2.231
   80   1H5*    G   8          1H5*        G   8   3.903  -2.733  -5.928
   81   2H5*    G   8          2H5*        G   8   2.696  -3.481  -6.995
   82    H4*    G   8           H4*        G   8   3.705  -5.155  -5.615
   83    H3*    G   8           H3*        G   8   0.929  -4.831  -5.744
   84    H1*    G   8           H1*        G   8   3.032  -5.810  -2.639
   85    H8     G   8           H8         G   8   1.438  -2.279  -2.402
   86    H1     G   8           H1         G   8   3.307  -4.881   3.161
   87   1H2     G   8          1H2         G   8   4.222  -6.862   2.797
   88   2H2     G   8          2H2         G   8   4.363  -7.543   1.192
   89   1H2*    G   8          1H2*        G   8   0.522  -4.292  -3.489
   90   2H2*    G   8          2H2*        G   8   0.738  -6.021  -3.253
   91   1H5*    G   9          1H5*        G   9   3.673  -7.882  -3.383
   92   2H5*    G   9          2H5*        G   9   3.134  -9.266  -4.357
   93    H4*    G   9           H4*        G   9   4.126 -10.102  -2.369
   94    H3*    G   9           H3*        G   9   1.712 -11.008  -3.088
   95    H1*    G   9           H1*        G   9   2.250  -9.803   0.575
   96    H8     G   9           H8         G   9   0.646  -7.073  -1.679
   97    H1     G   9           H1         G   9   0.298  -6.070   4.652
   98   1H2     G   9          1H2         G   9   1.260  -7.730   5.740
   99   2H2     G   9          2H2         G   9   1.988  -9.089   4.912
  100   1H2*    G   9          1H2*        G   9   0.348  -9.524  -1.788
  101   2H2*    G   9          2H2*        G   9   0.516 -10.869  -0.667
  102   1H5*    C  10          1H5*        C  10   2.817 -11.887   1.112
  103   2H5*    C  10          2H5*        C  10   3.236 -13.612   1.169
  104    H4*    C  10           H4*        C  10   2.590 -13.318   3.311
  105    H3*    C  10           H3*        C  10   0.714 -14.738   1.921
  106    H1*    C  10           H1*        C  10  -0.222 -11.891   4.402
  107   1H4     C  10          1H4         C  10  -3.293  -6.804   2.220
  108   2H4     C  10          2H4         C  10  -3.065  -7.295   0.554
  109    H5     C  10           H5         C  10  -1.850  -9.295  -0.073
  110    H6     C  10           H6         C  10  -0.628 -11.230   0.766
  111   1H2*    C  10          1H2*        C  10  -0.950 -13.061   1.682
  112   2H2*    C  10          2H2*        C  10  -1.387 -13.641   3.283
  113   1H5*    C  11          1H5*        C  11   0.500 -14.009   6.021
  114   2H5*    C  11          2H5*        C  11   0.686 -15.304   7.222
  115    H4*    C  11           H4*        C  11  -0.478 -13.850   8.480
  116    H3*    C  11           H3*        C  11  -2.191 -15.843   7.465
  117    H1*    C  11           H1*        C  11  -2.993 -12.052   7.990
  118   1H4     C  11          1H4         C  11  -5.594  -9.173   2.985
  119   2H4     C  11          2H4         C  11  -5.100 -10.460   1.905
  120    H5     C  11           H5         C  11  -3.851 -12.406   2.655
  121    H6     C  11           H6         C  11  -2.834 -13.491   4.574
  122   1H2*    C  11          1H2*        C  11  -3.728 -14.500   6.338
  123   2H2*    C  11          2H2*        C  11  -4.266 -14.049   7.949
  124   1H5*    A  12          1H5*        A  12  -2.819 -13.247  10.790
  125   2H5*    A  12          2H5*        A  12  -2.667 -14.125  12.327
  126    H4*    A  12           H4*        A  12  -3.653 -12.226  13.064
  127    H3*    A  12           H3*        A  12  -5.356 -14.289  13.238
  128    H1*    A  12           H1*        A  12  -6.587 -10.967  11.537
  129    H8     A  12           H8         A  12  -5.363 -13.676   9.035
  130   1H6     A  12          1H6         A  12  -8.390 -10.365   4.770
  131   2H6     A  12          2H6         A  12  -7.408 -11.784   5.060
  132    H2     A  12           H2         A  12  -8.919  -8.337   8.742
  133   1H2*    A  12          1H2*        A  12  -6.580 -13.988  11.213
  134   2H2*    A  12          2H2*        A  12  -7.551 -12.990  12.289
  135   1H5*    C  13          1H5*        C  13  -7.231  -9.903  13.376
  136   2H5*    C  13          2H5*        C  13  -7.307 -10.002  15.147
  137    H4*    C  13           H4*        C  13  -8.888  -8.412  14.704
  138    H3*    C  13           H3*        C  13  -9.955 -10.589  15.795
  139    H1*    C  13           H1*        C  13 -11.546  -9.355  12.373
  140   1H4     C  13          1H4         C  13 -10.147 -12.837   7.275
  141   2H4     C  13          2H4         C  13  -9.147 -13.921   8.214
  142    H5     C  13           H5         C  13  -8.765 -13.636  10.586
  143    H6     C  13           H6         C  13  -9.214 -12.226  12.521
  144   1H2*    C  13          1H2*        C  13 -10.574 -11.809  13.846
  145   2H2*    C  13          2H2*        C  13 -12.051 -10.884  14.077
  146   1H5*    A  14          1H5*        A  14 -12.053  -8.194  12.820
  147   2H5*    A  14          2H5*        A  14 -12.389  -7.047  14.131
  148    H4*    A  14           H4*        A  14 -13.687  -6.081  12.598
  149    H3*    A  14           H3*        A  14 -15.323  -7.389  14.261
  150    H1*    A  14           H1*        A  14 -15.696  -8.099  10.371
  151    H8     A  14           H8         A  14 -13.814 -10.723  12.518
  152   1H6     A  14          1H6         A  14 -13.898 -14.221   7.414
  153   2H6     A  14          2H6         A  14 -13.435 -14.146   9.100
  154    H2     A  14           H2         A  14 -15.791 -10.268   6.426
  155   1H2*    A  14          1H2*        A  14 -15.637  -9.430  13.083
  156   2H2*    A  14          2H2*        A  14 -16.917  -8.491  12.327
  157   1H5*    G  15          1H5*        G  15 -16.320  -5.981   9.924
  158   2H5*    G  15          2H5*        G  15 -17.412  -4.675  10.432
  159    H4*    G  15           H4*        G  15 -17.858  -5.066   8.156
  160    H3*    G  15           H3*        G  15 -19.931  -5.124   9.812
  161    H1*    G  15           H1*        G  15 -19.452  -8.233   7.467
  162    H8     G  15           H8         G  15 -18.420  -8.770  11.152
  163    H1     G  15           H1         G  15 -17.632 -13.793   7.229
  164   1H2     G  15          1H2         G  15 -18.104 -13.201   5.155
  165   2H2     G  15          2H2         G  15 -18.605 -11.579   4.739
  166    H3T    G  15           H3T        G  15 -20.690  -4.491   7.981
  167   1H2*    G  15          1H2*        G  15 -19.944  -7.452  10.359
  168   2H2*    G  15          2H2*        G  15 -21.067  -7.444   9.007
  169   1H5*    C  16          1H5*        C  16 -19.945 -20.551   3.185
  170   2H5*    C  16          2H5*        C  16 -18.316 -21.126   2.784
  171    H4*    C  16           H4*        C  16 -19.377 -19.019   1.624
  172    H3*    C  16           H3*        C  16 -16.900 -19.961   1.470
  173    H1*    C  16           H1*        C  16 -17.366 -16.400   2.917
  174   1H4     C  16          1H4         C  16 -16.740 -15.235   9.101
  175   2H4     C  16          2H4         C  16 -16.371 -16.908   9.447
  176    H5     C  16           H5         C  16 -16.371 -18.632   7.746
  177    H6     C  16           H6         C  16 -16.723 -19.097   5.378
  178    H5T    C  16           H5T        C  16 -19.004 -19.413   4.951
  179   1H2*    C  16          1H2*        C  16 -16.083 -19.087   3.570
  180   2H2*    C  16          2H2*        C  16 -15.531 -17.861   2.437
  181   1H5*    T  17          1H5*        T  17 -18.217 -16.053  -0.409
  182   2H5*    T  17          2H5*        T  17 -17.332 -15.525  -1.855
  183    H4*    T  17           H4*        T  17 -18.439 -13.685  -0.665
  184    H3*    T  17           H3*        T  17 -15.987 -13.513  -1.807
  185   1H2*    T  17          1H2*        T  17 -14.673 -13.855   0.170
  186   2H2*    T  17          2H2*        T  17 -14.822 -12.104   0.181
  187    H1*    T  17           H1*        T  17 -16.685 -12.142   1.712
  188    H3     T  17           H3         T  17 -14.864 -12.890   5.706
  189   1H5M    T  17          1H5M        T  17 -12.972 -16.875   4.395
  190   2H5M    T  17          2H5M        T  17 -13.319 -16.977   2.651
  191   3H5M    T  17          3H5M        T  17 -14.513 -17.565   3.833
  192    H6     T  17           H6         T  17 -15.065 -15.483   1.707
  193   1H5*    G  18          1H5*        G  18 -17.140 -10.233   1.772
  194   2H5*    G  18          2H5*        G  18 -17.728  -9.343   0.351
  195    H4*    G  18           H4*        G  18 -17.300  -7.586   1.693
  196    H3*    G  18           H3*        G  18 -15.459  -7.655  -0.243
  197    H1*    G  18           H1*        G  18 -14.226  -7.355   3.467
  198    H8     G  18           H8         G  18 -13.583 -10.739   1.764
  199    H1     G  18           H1         G  18 -11.845 -10.376   7.933
  200   1H2     G  18          1H2         G  18 -12.507  -8.457   8.792
  201   2H2     G  18          2H2         G  18 -13.372  -7.262   7.852
  202   1H2*    G  18          1H2*        G  18 -13.739  -8.877   0.883
  203   2H2*    G  18          2H2*        G  18 -13.271  -7.235   1.306
  204   1H5*    T  19          1H5*        T  19 -15.780  -4.799   2.723
  205   2H5*    T  19          2H5*        T  19 -15.655  -3.029   2.703
  206    H4*    T  19           H4*        T  19 -15.100  -3.807   4.878
  207    H3*    T  19           H3*        T  19 -13.282  -2.243   3.405
  208   1H2*    T  19          1H2*        T  19 -11.483  -3.766   3.385
  209   2H2*    T  19          2H2*        T  19 -11.284  -3.227   5.048
  210    H1*    T  19           H1*        T  19 -12.583  -5.034   5.941
  211    H3     T  19           H3         T  19  -9.582  -8.328   5.923
  212   1H5M    T  19          1H5M        T  19 -11.090  -7.498   0.804
  213   2H5M    T  19          2H5M        T  19  -9.345  -7.681   1.107
  214   3H5M    T  19          3H5M        T  19 -10.440  -9.064   1.347
  215    H6     T  19           H6         T  19 -11.885  -6.022   2.434
  216   1H5*    G  20          1H5*        G  20 -11.814  -3.729   7.429
  217   2H5*    G  20          2H5*        G  20 -12.353  -2.275   8.294
  218    H4*    G  20           H4*        G  20 -10.631  -2.755   9.632
  219    H3*    G  20           H3*        G  20  -9.851  -0.722   8.049
  220    H1*    G  20           H1*        G  20  -7.536  -3.823   8.507
  221    H8     G  20           H8         G  20  -9.019  -3.474   4.968
  222    H1     G  20           H1         G  20  -5.505  -8.742   6.024
  223   1H2     G  20          1H2         G  20  -4.942  -8.851   8.158
  224   2H2     G  20          2H2         G  20  -5.437  -7.634   9.314
  225   1H2*    G  20          1H2*        G  20  -8.675  -1.961   6.382
  226   2H2*    G  20          2H2*        G  20  -7.363  -1.666   7.514
  227   1H5*    G  21          1H5*        G  21  -7.284  -3.217  10.263
  228   2H5*    G  21          2H5*        G  21  -7.120  -2.389  11.825
  229    H4*    G  21           H4*        G  21  -5.537  -3.921  12.171
  230    H3*    G  21           H3*        G  21  -4.293  -1.601  11.533
  231    H1*    G  21           H1*        G  21  -3.209  -4.965   9.974
  232    H8     G  21           H8         G  21  -5.111  -2.718   7.446
  233    H1     G  21           H1         G  21  -2.426  -8.037   5.057
  234   1H2     G  21          1H2         G  21  -1.482  -9.201   6.675
  235   2H2     G  21          2H2         G  21  -1.511  -8.673   8.343
  236   1H2*    G  21          1H2*        G  21  -3.817  -2.066   9.235
  237   2H2*    G  21          2H2*        G  21  -2.369  -2.720   9.987
  238   1H5*    C  22          1H5*        C  22  -2.021  -4.943  12.510
  239   2H5*    C  22          2H5*        C  22  -0.996  -5.149  13.946
  240    H4*    C  22           H4*        C  22   0.259  -6.355  12.559
  241    H3*    C  22           H3*        C  22   1.330  -3.757  12.631
  242    H1*    C  22           H1*        C  22   1.119  -6.196   9.653
  243   1H4     C  22          1H4         C  22  -1.364  -4.196   4.186
  244   2H4     C  22          2H4         C  22  -2.087  -2.800   4.941
  245    H5     C  22           H5         C  22  -1.881  -2.329   7.307
  246    H6     C  22           H6         C  22  -0.957  -3.121   9.420
  247   1H2*    C  22          1H2*        C  22   1.051  -3.220  10.353
  248   2H2*    C  22          2H2*        C  22   2.451  -4.265  10.153
  249   1H5*    C  23          1H5*        C  23   2.058  -7.109   9.883
  250   2H5*    C  23          2H5*        C  23   2.997  -7.781  11.232
  251    H4*    C  23           H4*        C  23   3.479  -9.289   9.600
  252    H3*    C  23           H3*        C  23   5.660  -7.955  10.270
  253    H1*    C  23           H1*        C  23   4.695  -7.812   6.408
  254   1H4     C  23          1H4         C  23   2.192  -2.331   4.483
  255   2H4     C  23          2H4         C  23   1.964  -1.776   6.124
  256    H5     C  23           H5         C  23   2.575  -3.100   8.057
  257    H6     C  23           H6         C  23   3.511  -5.225   8.803
  258   1H2*    C  23          1H2*        C  23   5.551  -6.120   8.750
  259   2H2*    C  23          2H2*        C  23   6.497  -7.240   7.780
  260   1H5*    C  24          1H5*        C  24   7.381 -11.384   6.654
  261   2H5*    C  24          2H5*        C  24   9.024 -11.391   7.330
  262    H4*    C  24           H4*        C  24   8.783 -11.287   4.804
  263    H3*    C  24           H3*        C  24  10.837 -10.400   6.305
  264    H1*    C  24           H1*        C  24   9.197  -8.104   3.679
  265   1H4     C  24          1H4         C  24   5.937  -2.939   5.353
  266   2H4     C  24          2H4         C  24   6.260  -3.213   7.051
  267    H5     C  24           H5         C  24   7.468  -5.153   7.865
  268    H6     C  24           H6         C  24   8.604  -7.212   7.218
  269   1H2*    C  24          1H2*        C  24  10.108  -8.135   6.594
  270   2H2*    C  24          2H2*        C  24  11.092  -7.974   5.146
  271   1H5*    T  25          1H5*        T  25   9.215  -8.447   2.372
  272   2H5*    T  25          2H5*        T  25  10.074  -9.931   1.915
  273    H4*    T  25           H4*        T  25   9.824  -9.123  -0.150
  274    H3*    T  25           H3*        T  25  12.373  -8.700   0.535
  275   1H2*    T  25          1H2*        T  25  12.271  -6.457   1.320
  276   2H2*    T  25          2H2*        T  25  12.530  -6.133  -0.389
  277    H1*    T  25           H1*        T  25  10.289  -5.596  -0.793
  278    H3     T  25           H3         T  25   8.849  -2.039   1.468
  279   1H5M    T  25          1H5M        T  25   9.947  -5.306   5.320
  280   2H5M    T  25          2H5M        T  25  11.610  -4.758   5.002
  281   3H5M    T  25          3H5M        T  25  10.364  -3.584   5.487
  282    H6     T  25           H6         T  25  10.930  -6.116   2.814
  283   1H5*    G  26          1H5*        G  26  10.965  -6.595  -2.727
  284   2H5*    G  26          2H5*        G  26  11.587  -6.827  -4.372
  285    H4*    G  26           H4*        G  26  11.057  -4.628  -4.455
  286    H3*    G  26           H3*        G  26  13.839  -5.007  -4.205
  287    H1*    G  26           H1*        G  26  11.620  -2.200  -2.814
  288    H8     G  26           H8         G  26  12.918  -4.446   0.072
  289    H1     G  26           H1         G  26  11.223   1.534   1.684
  290   1H2     G  26          1H2         G  26  10.579   2.643  -0.108
  291   2H2     G  26          2H2         G  26  10.564   1.917  -1.701
  292   1H2*    G  26          1H2*        G  26  14.142  -3.820  -2.188
  293   2H2*    G  26          2H2*        G  26  13.981  -2.419  -3.237
  294   1H5*    A  27          1H5*        A  27  11.776  -1.597  -5.844
  295   2H5*    A  27          2H5*        A  27  12.103  -1.382  -7.576
  296    H4*    A  27           H4*        A  27  11.239   0.658  -7.006
  297    H3*    A  27           H3*        A  27  13.801   0.799  -7.777
  298    H1*    A  27           H1*        A  27  12.751   2.569  -4.438
  299    H8     A  27           H8         A  27  14.223  -0.991  -3.915
  300   1H6     A  27          1H6         A  27  15.161   0.807   1.924
  301   2H6     A  27          2H6         A  27  15.326  -0.503   0.774
  302    H2     A  27           H2         A  27  13.296   4.236  -0.302
  303   1H2*    A  27          1H2*        A  27  14.873   0.758  -5.645
  304   2H2*    A  27          2H2*        A  27  14.656   2.495  -5.830
  305   1H5*    G  28          1H5*        G  28  12.606   3.986  -4.608
  306   2H5*    G  28          2H5*        G  28  11.794   4.642  -6.046
  307    H4*    G  28           H4*        G  28  11.815   6.542  -4.862
  308    H3*    G  28           H3*        G  28  13.663   6.839  -6.712
  309    H1*    G  28           H1*        G  28  15.023   7.112  -2.944
  310    H8     G  28           H8         G  28  15.505   3.853  -4.951
  311    H1     G  28           H1         G  28  17.534   3.730   1.140
  312   1H2     G  28          1H2         G  28  17.004   5.626   2.145
  313   2H2     G  28          2H2         G  28  16.147   6.909   1.319
  314   1H2*    G  28          1H2*        G  28  15.572   5.905  -5.636
  315   2H2*    G  28          2H2*        G  28  15.752   7.570  -5.104
  316   1H5*    C  29          1H5*        C  29  13.773   9.536  -3.348
  317   2H5*    C  29          2H5*        C  29  14.026  11.288  -3.480
  318    H4*    C  29           H4*        C  29  15.122  10.597  -1.525
  319    H3*    C  29           H3*        C  29  16.660  11.760  -3.569
  320    H1*    C  29           H1*        C  29  17.627   9.043  -1.057
  321   1H4     C  29          1H4         C  29  20.204   3.568  -2.925
  322   2H4     C  29          2H4         C  29  19.587   3.749  -4.552
  323    H5     C  29           H5         C  29  18.287   5.669  -5.262
  324    H6     C  29           H6         C  29  17.324   7.795  -4.557
  325   1H2*    C  29          1H2*        C  29  18.099   9.919  -3.955
  326   2H2*    C  29          2H2*        C  29  18.879  10.521  -2.497
  327   1H5*    C  30          1H5*        C  30  18.046  12.274   0.932
  328   2H5*    C  30          2H5*        C  30  17.966  14.041   1.076
  329    H4*    C  30           H4*        C  30  19.540  13.412   2.652
  330    H3*    C  30           H3*        C  30  20.428  15.089   0.767
  331    H1*    C  30           H1*        C  30  22.516  11.703   1.305
  332   1H4     C  30          1H4         C  30  21.496   7.490  -3.337
  333   2H4     C  30          2H4         C  30  20.735   8.713  -4.330
  334    H5     C  30           H5         C  30  20.372  10.980  -3.576
  335    H6     C  30           H6         C  30  20.611  12.522  -1.705
  336    H3T    C  30           H3T        C  30  21.965  13.891   2.834
  337   1H2*    C  30          1H2*        C  30  21.511  13.647  -0.749
  338   2H2*    C  30          2H2*        C  30  22.840  13.809   0.390
  339   1H    ASP  10          1H        ASP  10  -8.613  17.108  10.531
  340    HA   ASP  10           HA       ASP  10  -8.265  14.881  10.546
  341   1HB   ASP  10          1HB       ASP  10 -10.128  14.735  12.125
  342   2HB   ASP  10          2HB       ASP  10 -11.273  14.683  10.790
  343    H    GLU  11           H        GLU  11  -7.404  14.653   8.574
  344    HA   GLU  11           HA       GLU  11  -8.921  14.666   6.168
  345   1HB   GLU  11          1HB       GLU  11  -6.203  13.451   6.624
  346   2HB   GLU  11          2HB       GLU  11  -6.898  13.878   5.080
  347   1HG   GLU  11          1HG       GLU  11  -6.161  15.808   7.257
  348   2HG   GLU  11          2HG       GLU  11  -5.253  15.499   5.778
  349    H    LEU  12           H        LEU  12  -9.846  13.067   5.079
  350    HA   LEU  12           HA       LEU  12  -9.661  10.346   6.154
  351   1HB   LEU  12          1HB       LEU  12 -12.190  11.854   5.489
  352   2HB   LEU  12          2HB       LEU  12 -12.131  10.120   5.737
  353    HG   LEU  12           HG       LEU  12 -11.432  12.199   7.814
  354   1HD1  LEU  12          1HD1      LEU  12 -13.813  12.176   7.295
  355   2HD1  LEU  12          2HD1      LEU  12 -13.508  11.495   8.893
  356   3HD1  LEU  12          3HD1      LEU  12 -13.857  10.429   7.533
  357   1HD2  LEU  12          1HD2      LEU  12 -10.178  10.131   8.112
  358   2HD2  LEU  12          2HD2      LEU  12 -11.671   9.197   8.010
  359   3HD2  LEU  12          3HD2      LEU  12 -11.410  10.300   9.362
  360    H    CYS  13           H        CYS  13 -10.171   8.695   4.682
  361    HA   CYS  13           HA       CYS  13  -9.409   9.167   1.989
  362   1HB   CYS  13          1HB       CYS  13  -8.974   7.023   3.020
  363   2HB   CYS  13          2HB       CYS  13 -10.684   6.788   3.355
  364    HG   CYS  13           HG       CYS  13  -9.851   5.055   1.303
  365    HA   PRO  14           HA       PRO  14 -13.441  10.691   0.809
  366   1HB   PRO  14          1HB       PRO  14 -12.852  11.089  -1.824
  367   2HB   PRO  14          2HB       PRO  14 -12.377  12.204  -0.538
  368   1HG   PRO  14          1HG       PRO  14 -10.764  10.090  -1.907
  369   2HG   PRO  14          2HG       PRO  14 -10.290  11.733  -1.440
  370   1HD   PRO  14          1HD       PRO  14  -9.595   9.551   0.001
  371   2HD   PRO  14          2HD       PRO  14  -9.899  11.132   0.750
  372    H    VAL  15           H        VAL  15 -11.953   7.808  -0.113
  373    HA   VAL  15           HA       VAL  15 -13.992   6.924  -1.945
  374    HB   VAL  15           HB       VAL  15 -11.875   5.316  -0.498
  375   1HG1  VAL  15          1HG1      VAL  15 -13.739   3.915  -1.180
  376   2HG1  VAL  15          2HG1      VAL  15 -12.326   3.590  -2.185
  377   3HG1  VAL  15          3HG1      VAL  15 -13.653   4.568  -2.817
  378   1HG2  VAL  15          1HG2      VAL  15 -10.686   5.350  -2.632
  379   2HG2  VAL  15          2HG2      VAL  15 -10.910   6.976  -1.986
  380   3HG2  VAL  15          3HG2      VAL  15 -11.931   6.403  -3.305
  381    H    CYS  16           H        CYS  16 -12.987   5.767   1.278
  382    HA   CYS  16           HA       CYS  16 -15.665   4.582   1.570
  383   1HB   CYS  16          1HB       CYS  16 -14.475   3.035   3.178
  384   2HB   CYS  16          2HB       CYS  16 -13.999   2.890   1.487
  385    HG   CYS  16           HG       CYS  16 -12.009   3.088   3.917
  386    H    GLY  17           H        GLY  17 -13.435   6.806   2.999
  387   1HA   GLY  17          1HA       GLY  17 -14.125   8.373   4.644
  388   2HA   GLY  17          2HA       GLY  17 -15.326   7.217   5.198
  389    H    ASP  18           H        ASP  18 -12.330   5.741   4.664
  390    HA   ASP  18           HA       ASP  18 -11.865   5.400   7.484
  391   1HB   ASP  18          1HB       ASP  18 -10.356   4.478   5.038
  392   2HB   ASP  18          2HB       ASP  18  -9.742   4.219   6.666
  393    H    LYS  19           H        LYS  19  -9.638   5.762   8.394
  394    HA   LYS  19           HA       LYS  19  -8.914   8.504   8.081
  395   1HB   LYS  19          1HB       LYS  19  -7.455   6.285   9.533
  396   2HB   LYS  19          2HB       LYS  19  -7.158   8.009   9.722
  397   1HG   LYS  19          1HG       LYS  19  -9.409   8.306  10.613
  398   2HG   LYS  19          2HG       LYS  19  -9.717   6.580  10.416
  399   1HD   LYS  19          1HD       LYS  19  -7.854   6.103  11.961
  400   2HD   LYS  19          2HD       LYS  19  -7.631   7.838  12.195
  401   1HE   LYS  19          1HE       LYS  19  -9.925   7.998  13.059
  402   2HE   LYS  19          2HE       LYS  19 -10.113   6.257  12.858
  403   1HZ   LYS  19          1HZ       LYS  19  -8.184   7.622  14.658
  404   2HZ   LYS  19          2HZ       LYS  19  -8.261   5.948  14.420
  405   3HZ   LYS  19          3HZ       LYS  19  -9.567   6.765  15.131
  406    H    VAL  20           H        VAL  20  -7.130   9.407   7.102
  407    HA   VAL  20           HA       VAL  20  -6.166   8.045   4.808
  408    HB   VAL  20           HB       VAL  20  -4.706  10.020   4.465
  409   1HG1  VAL  20          1HG1      VAL  20  -7.579  10.640   5.132
  410   2HG1  VAL  20          2HG1      VAL  20  -6.978   9.992   3.605
  411   3HG1  VAL  20          3HG1      VAL  20  -6.523  11.618   4.114
  412   1HG2  VAL  20          1HG2      VAL  20  -5.916  10.975   7.062
  413   2HG2  VAL  20          2HG2      VAL  20  -4.938  11.951   5.966
  414   3HG2  VAL  20          3HG2      VAL  20  -4.223  10.564   6.789
  415    H    SER  21           H        SER  21  -4.157   7.289   4.296
  416    HA   SER  21           HA       SER  21  -2.287   6.921   6.539
  417   1HB   SER  21          1HB       SER  21  -2.505   5.256   4.014
  418   2HB   SER  21          2HB       SER  21  -1.547   4.891   5.451
  419    HG   SER  21           HG       SER  21  -3.961   5.212   6.345
  420    H    GLY  22           H        GLY  22  -2.732   9.075   4.384
  421   1HA   GLY  22          1HA       GLY  22  -0.999  10.647   3.841
  422   2HA   GLY  22          2HA       GLY  22   0.103   9.294   3.632
  423    H    TYR  23           H        TYR  23   0.369  10.787   1.624
  424    HA   TYR  23           HA       TYR  23  -1.549  10.323  -0.483
  425   1HB   TYR  23          1HB       TYR  23   1.232  11.520  -0.503
  426   2HB   TYR  23          2HB       TYR  23   0.210  11.395  -1.929
  427    HD1  TYR  23           HD1      TYR  23   0.585  13.025   1.359
  428    HD2  TYR  23           HD2      TYR  23  -1.571  12.935  -2.307
  429    HE1  TYR  23           HE1      TYR  23  -0.434  15.193   1.910
  430    HE2  TYR  23           HE2      TYR  23  -2.596  15.103  -1.764
  431    HH   TYR  23           HH       TYR  23  -3.086  16.470   0.181
  432    H    HIS  24           H        HIS  24  -1.639   8.511  -1.662
  433    HA   HIS  24           HA       HIS  24   0.832   7.051  -2.206
  434   1HB   HIS  24          1HB       HIS  24  -1.620   5.753  -1.000
  435   2HB   HIS  24          2HB       HIS  24  -0.250   4.873  -1.668
  436    HD1  HIS  24           HD1      HIS  24   2.139   5.557  -0.431
  437    HD2  HIS  24           HD2      HIS  24  -1.401   6.221   1.647
  438    HE1  HIS  24           HE1      HIS  24   2.805   5.787   1.988
  439    HE2  HIS  24           HE2      HIS  24   0.667   6.385   3.192
  440    H    TYR  25           H        TYR  25  -2.686   6.614  -2.680
  441    HA   TYR  25           HA       TYR  25  -2.071   6.017  -5.478
  442   1HB   TYR  25          1HB       TYR  25  -4.499   5.408  -3.793
  443   2HB   TYR  25          2HB       TYR  25  -4.457   5.160  -5.536
  444    HD1  TYR  25           HD1      TYR  25  -3.674   3.143  -6.399
  445    HD2  TYR  25           HD2      TYR  25  -2.660   4.216  -2.412
  446    HE1  TYR  25           HE1      TYR  25  -2.650   0.932  -6.072
  447    HE2  TYR  25           HE2      TYR  25  -1.635   2.012  -2.074
  448    HH   TYR  25           HH       TYR  25  -0.863  -0.064  -4.561
  449    H    GLY  26           H        GLY  26  -1.674   8.372  -5.653
  450   1HA   GLY  26          1HA       GLY  26  -2.368  10.071  -7.078
  451   2HA   GLY  26          2HA       GLY  26  -4.017   9.482  -6.951
  452    H    LEU  27           H        LEU  27  -3.778   9.527  -3.943
  453    HA   LEU  27           HA       LEU  27  -3.416  12.266  -3.211
  454   1HB   LEU  27          1HB       LEU  27  -5.711  12.852  -2.758
  455   2HB   LEU  27          2HB       LEU  27  -5.552  12.427  -4.451
  456    HG   LEU  27           HG       LEU  27  -6.510  10.381  -2.473
  457   1HD1  LEU  27          1HD1      LEU  27  -8.212  12.452  -3.850
  458   2HD1  LEU  27          2HD1      LEU  27  -7.900  12.350  -2.117
  459   3HD1  LEU  27          3HD1      LEU  27  -8.803  11.071  -2.927
  460   1HD2  LEU  27          1HD2      LEU  27  -5.927   9.675  -4.757
  461   2HD2  LEU  27          2HD2      LEU  27  -7.092  10.833  -5.400
  462   3HD2  LEU  27          3HD2      LEU  27  -7.645   9.479  -4.418
  463    H    LEU  28           H        LEU  28  -5.181  12.367  -1.059
  464    HA   LEU  28           HA       LEU  28  -3.947  10.839   0.941
  465   1HB   LEU  28          1HB       LEU  28  -6.620  12.240   0.878
  466   2HB   LEU  28          2HB       LEU  28  -6.005  11.444   2.306
  467    HG   LEU  28           HG       LEU  28  -5.557  13.718   2.621
  468   1HD1  LEU  28          1HD1      LEU  28  -3.679  12.308   3.207
  469   2HD1  LEU  28          2HD1      LEU  28  -3.120  13.877   2.624
  470   3HD1  LEU  28          3HD1      LEU  28  -3.030  12.462   1.574
  471   1HD2  LEU  28          1HD2      LEU  28  -4.349  13.831  -0.134
  472   2HD2  LEU  28          2HD2      LEU  28  -4.516  15.170   1.001
  473   3HD2  LEU  28          3HD2      LEU  28  -5.952  14.422   0.302
  474    H    THR  29           H        THR  29  -3.988   8.688   0.996
  475    HA   THR  29           HA       THR  29  -6.556   7.344   0.539
  476    HB   THR  29           HB       THR  29  -4.974   5.497  -0.525
  477    HG1  THR  29           HG1      THR  29  -3.626   7.976  -0.954
  478   1HG2  THR  29          1HG2      THR  29  -5.934   7.961  -1.991
  479   2HG2  THR  29          2HG2      THR  29  -6.885   6.516  -1.645
  480   3HG2  THR  29          3HG2      THR  29  -5.510   6.423  -2.744
  481    H    CYS  30           H        CYS  30  -6.801   5.329   1.567
  482    HA   CYS  30           HA       CYS  30  -5.096   5.058   3.939
  483   1HB   CYS  30          1HB       CYS  30  -7.061   3.796   4.863
  484   2HB   CYS  30          2HB       CYS  30  -7.390   5.487   4.496
  485    HG   CYS  30           HG       CYS  30  -9.161   3.000   3.646
  486    H    GLU  31           H        GLU  31  -4.541   2.948   4.685
  487    HA   GLU  31           HA       GLU  31  -3.596   1.216   2.685
  488   1HB   GLU  31          1HB       GLU  31  -2.587   1.440   4.926
  489   2HB   GLU  31          2HB       GLU  31  -3.994   0.663   5.631
  490   1HG   GLU  31          1HG       GLU  31  -2.210  -0.924   5.486
  491   2HG   GLU  31          2HG       GLU  31  -3.475  -1.376   4.345
  492    H    SER  32           H        SER  32  -6.677   1.365   4.283
  493    HA   SER  32           HA       SER  32  -7.429  -1.336   3.857
  494   1HB   SER  32          1HB       SER  32  -9.762  -0.489   4.217
  495   2HB   SER  32          2HB       SER  32  -8.631  -0.045   5.494
  496    HG   SER  32           HG       SER  32 -10.030   1.684   4.733
  497    H    CYS  33           H        CYS  33  -8.008   1.645   1.979
  498    HA   CYS  33           HA       CYS  33  -9.251   0.229  -0.182
  499   1HB   CYS  33          1HB       CYS  33  -8.148   3.026   0.054
  500   2HB   CYS  33          2HB       CYS  33  -8.825   2.401  -1.446
  501    HG   CYS  33           HG       CYS  33 -10.926   3.767  -0.606
  502    H    LYS  34           H        LYS  34  -6.017   1.358   0.575
  503    HA   LYS  34           HA       LYS  34  -4.723   0.761  -1.819
  504   1HB   LYS  34          1HB       LYS  34  -3.597   1.951  -0.056
  505   2HB   LYS  34          2HB       LYS  34  -3.783   0.598   1.047
  506   1HG   LYS  34          1HG       LYS  34  -2.263  -0.730  -0.343
  507   2HG   LYS  34          2HG       LYS  34  -2.058   0.655  -1.419
  508   1HD   LYS  34          1HD       LYS  34  -1.032   1.942   0.294
  509   2HD   LYS  34          2HD       LYS  34  -1.479   0.768   1.532
  510   1HE   LYS  34          1HE       LYS  34  -0.043  -0.871   0.108
  511   2HE   LYS  34          2HE       LYS  34   0.656   0.608  -0.554
  512   1HZ   LYS  34          1HZ       LYS  34   1.909  -0.238   1.355
  513   2HZ   LYS  34          2HZ       LYS  34   0.532  -0.081   2.337
  514   3HZ   LYS  34          3HZ       LYS  34   1.257   1.295   1.670
  515    H    GLY  35           H        GLY  35  -5.271  -1.303   1.029
  516   1HA   GLY  35          1HA       GLY  35  -4.180  -3.667  -0.009
  517   2HA   GLY  35          2HA       GLY  35  -5.402  -3.576   1.253
  518    H    PHE  36           H        PHE  36  -7.552  -2.528  -0.027
  519    HA   PHE  36           HA       PHE  36  -8.659  -4.722  -1.359
  520   1HB   PHE  36          1HB       PHE  36 -10.078  -3.107  -0.257
  521   2HB   PHE  36          2HB       PHE  36  -9.519  -1.821  -1.322
  522    HD1  PHE  36           HD1      PHE  36 -10.739  -1.296  -3.211
  523    HD2  PHE  36           HD2      PHE  36 -11.255  -5.114  -1.405
  524    HE1  PHE  36           HE1      PHE  36 -12.577  -1.781  -4.771
  525    HE2  PHE  36           HE2      PHE  36 -13.095  -5.606  -2.961
  526    HZ   PHE  36           HZ       PHE  36 -13.758  -3.938  -4.646
  527    H    PHE  37           H        PHE  37  -7.268  -1.730  -2.629
  528    HA   PHE  37           HA       PHE  37  -7.841  -2.167  -5.343
  529   1HB   PHE  37          1HB       PHE  37  -6.924  -0.059  -4.114
  530   2HB   PHE  37          2HB       PHE  37  -5.343  -0.771  -4.416
  531    HD1  PHE  37           HD1      PHE  37  -4.301  -0.536  -6.499
  532    HD2  PHE  37           HD2      PHE  37  -8.428   0.407  -6.075
  533    HE1  PHE  37           HE1      PHE  37  -4.306   0.446  -8.755
  534    HE2  PHE  37           HE2      PHE  37  -8.442   1.389  -8.329
  535    HZ   PHE  37           HZ       PHE  37  -6.380   1.411  -9.671
  536    H    LYS  38           H        LYS  38  -4.935  -2.888  -3.432
  537    HA   LYS  38           HA       LYS  38  -3.432  -4.220  -5.349
  538   1HB   LYS  38          1HB       LYS  38  -3.642  -4.411  -2.367
  539   2HB   LYS  38          2HB       LYS  38  -2.668  -5.593  -3.229
  540   1HG   LYS  38          1HG       LYS  38  -1.016  -4.138  -3.594
  541   2HG   LYS  38          2HG       LYS  38  -2.125  -2.838  -4.019
  542   1HD   LYS  38          1HD       LYS  38  -0.700  -2.469  -1.961
  543   2HD   LYS  38          2HD       LYS  38  -2.434  -2.227  -1.756
  544   1HE   LYS  38          1HE       LYS  38  -2.625  -4.439  -0.751
  545   2HE   LYS  38          2HE       LYS  38  -0.899  -4.709  -0.993
  546   1HZ   LYS  38          1HZ       LYS  38  -2.106  -2.609   0.745
  547   2HZ   LYS  38          2HZ       LYS  38  -0.453  -2.839   0.491
  548   3HZ   LYS  38          3HZ       LYS  38  -1.353  -4.029   1.275
  549    H    ARG  39           H        ARG  39  -5.868  -5.556  -3.126
  550    HA   ARG  39           HA       ARG  39  -5.661  -8.240  -3.838
  551   1HB   ARG  39          1HB       ARG  39  -8.113  -6.696  -2.974
  552   2HB   ARG  39          2HB       ARG  39  -8.002  -8.449  -3.021
  553   1HG   ARG  39          1HG       ARG  39  -6.155  -6.748  -1.378
  554   2HG   ARG  39          2HG       ARG  39  -7.693  -7.363  -0.770
  555   1HD   ARG  39          1HD       ARG  39  -5.511  -9.103  -1.901
  556   2HD   ARG  39          2HD       ARG  39  -5.694  -8.747  -0.184
  557    HE   ARG  39           HE       ARG  39  -8.101  -9.764  -1.307
  558   1HH1  ARG  39          1HH1      ARG  39  -4.922 -10.766  -0.259
  559   2HH1  ARG  39          2HH1      ARG  39  -5.455 -12.326   0.309
  560   1HH2  ARG  39          1HH2      ARG  39  -8.807 -11.822  -0.602
  561   2HH2  ARG  39          2HH2      ARG  39  -7.669 -12.930   0.102
  562    H    THR  40           H        THR  40  -7.698  -5.708  -5.227
  563    HA   THR  40           HA       THR  40  -9.073  -7.485  -6.985
  564    HB   THR  40           HB       THR  40  -8.930  -4.468  -7.131
  565    HG1  THR  40           HG1      THR  40  -9.693  -4.900  -5.112
  566   1HG2  THR  40          1HG2      THR  40 -11.018  -6.433  -8.088
  567   2HG2  THR  40          2HG2      THR  40  -9.902  -5.532  -9.113
  568   3HG2  THR  40          3HG2      THR  40 -11.135  -4.676  -8.188
  569    H    VAL  41           H        VAL  41  -6.639  -4.915  -7.561
  570    HA   VAL  41           HA       VAL  41  -6.688  -5.281 -10.377
  571    HB   VAL  41           HB       VAL  41  -4.484  -3.973  -8.783
  572   1HG1  VAL  41          1HG1      VAL  41  -5.406  -3.549 -11.624
  573   2HG1  VAL  41          2HG1      VAL  41  -3.951  -4.415 -11.129
  574   3HG1  VAL  41          3HG1      VAL  41  -4.098  -2.686 -10.810
  575   1HG2  VAL  41          1HG2      VAL  41  -6.675  -3.043  -8.172
  576   2HG2  VAL  41          2HG2      VAL  41  -6.994  -2.704  -9.875
  577   3HG2  VAL  41          3HG2      VAL  41  -5.672  -1.882  -9.042
  578    H    GLN  42           H        GLN  42  -4.494  -6.442  -7.837
  579    HA   GLN  42           HA       GLN  42  -2.520  -7.414  -9.628
  580   1HB   GLN  42          1HB       GLN  42  -3.110  -8.110  -6.760
  581   2HB   GLN  42          2HB       GLN  42  -1.722  -8.708  -7.653
  582   1HG   GLN  42          1HG       GLN  42  -2.337  -5.810  -7.127
  583   2HG   GLN  42          2HG       GLN  42  -1.190  -6.786  -6.215
  584   1HE2  GLN  42          1HE2      GLN  42   0.513  -5.462  -6.723
  585   2HE2  GLN  42          2HE2      GLN  42   1.218  -5.404  -8.302
  586    H    ASN  43           H        ASN  43  -5.328  -8.876  -8.132
  587    HA   ASN  43           HA       ASN  43  -4.714 -11.456  -9.314
  588   1HB   ASN  43          1HB       ASN  43  -6.996 -10.491  -7.590
  589   2HB   ASN  43          2HB       ASN  43  -6.951 -12.103  -8.294
  590   1HD2  ASN  43          1HD2      ASN  43  -5.652  -9.982  -5.898
  591   2HD2  ASN  43          2HD2      ASN  43  -4.731 -11.178  -5.037
  592    H    ASN  44           H        ASN  44  -5.593  -8.758 -10.634
  593    HA   ASN  44           HA       ASN  44  -6.862  -8.003 -12.346
  594   1HB   ASN  44          1HB       ASN  44  -6.943  -9.531 -14.340
  595   2HB   ASN  44          2HB       ASN  44  -5.341  -9.280 -13.670
  596   1HD2  ASN  44          1HD2      ASN  44  -4.275 -10.963 -12.700
  597   2HD2  ASN  44          2HD2      ASN  44  -4.799 -12.614 -12.852
  598    H    LYS  45           H        LYS  45  -8.377  -8.575 -10.297
  599    HA   LYS  45           HA       LYS  45 -10.506 -10.386 -11.028
  600   1HB   LYS  45          1HB       LYS  45  -9.746  -8.860  -8.573
  601   2HB   LYS  45          2HB       LYS  45 -11.360  -9.514  -8.727
  602   1HG   LYS  45          1HG       LYS  45 -10.390 -11.753  -9.086
  603   2HG   LYS  45          2HG       LYS  45  -8.790 -11.056  -8.815
  604   1HD   LYS  45          1HD       LYS  45  -9.316 -10.513  -6.563
  605   2HD   LYS  45          2HD       LYS  45 -11.026 -10.873  -6.809
  606   1HE   LYS  45          1HE       LYS  45 -10.501 -13.224  -7.146
  607   2HE   LYS  45          2HE       LYS  45  -8.780 -12.880  -6.972
  608   1HZ   LYS  45          1HZ       LYS  45 -10.721 -12.256  -4.826
  609   2HZ   LYS  45          2HZ       LYS  45  -9.032 -12.409  -4.712
  610   3HZ   LYS  45          3HZ       LYS  45  -9.996 -13.782  -4.958
  611    H    HIS  46           H        HIS  46 -12.711  -9.778 -10.896
  612    HA   HIS  46           HA       HIS  46 -13.356  -6.965 -11.265
  613   1HB   HIS  46          1HB       HIS  46 -14.650  -7.458 -13.331
  614   2HB   HIS  46          2HB       HIS  46 -12.931  -7.686 -13.546
  615    HD1  HIS  46           HD1      HIS  46 -16.087  -9.269 -14.199
  616    HD2  HIS  46           HD2      HIS  46 -12.242 -10.526 -13.335
  617    HE1  HIS  46           HE1      HIS  46 -15.989 -11.675 -14.935
  618    HE2  HIS  46           HE2      HIS  46 -13.720 -12.483 -14.184
  619    H    TYR  47           H        TYR  47 -15.025  -6.559  -9.984
  620    HA   TYR  47           HA       TYR  47 -16.533  -8.808  -8.926
  621   1HB   TYR  47          1HB       TYR  47 -16.365  -5.914  -8.080
  622   2HB   TYR  47          2HB       TYR  47 -17.405  -7.102  -7.301
  623    HD1  TYR  47           HD1      TYR  47 -16.393  -9.009  -6.073
  624    HD2  TYR  47           HD2      TYR  47 -14.019  -5.843  -7.636
  625    HE1  TYR  47           HE1      TYR  47 -14.531  -9.696  -4.622
  626    HE2  TYR  47           HE2      TYR  47 -12.151  -6.523  -6.189
  627    HH   TYR  47           HH       TYR  47 -11.761  -7.744  -4.146
  628    H    THR  48           H        THR  48 -18.909  -8.223  -8.370
  629    HA   THR  48           HA       THR  48 -20.172  -6.979 -10.718
  630    HB   THR  48           HB       THR  48 -21.138  -9.554  -9.463
  631    HG1  THR  48           HG1      THR  48 -19.265 -10.115 -10.489
  632   1HG2  THR  48          1HG2      THR  48 -22.861  -8.225 -10.586
  633   2HG2  THR  48          2HG2      THR  48 -22.518  -9.704 -11.484
  634   3HG2  THR  48          3HG2      THR  48 -21.870  -8.162 -12.044
  635    H    CYS  49           H        CYS  49 -21.535  -5.446 -10.090
  636    HA   CYS  49           HA       CYS  49 -22.624  -5.541  -7.372
  637   1HB   CYS  49          1HB       CYS  49 -21.522  -3.449  -8.108
  638   2HB   CYS  49          2HB       CYS  49 -22.701  -3.301  -9.407
  639    HG   CYS  49           HG       CYS  49 -22.891  -1.951  -6.547
  640    H    THR  50           H        THR  50 -24.530  -6.489  -7.145
  641    HA   THR  50           HA       THR  50 -26.277  -6.943  -9.365
  642    HB   THR  50           HB       THR  50 -27.812  -7.821  -7.480
  643    HG1  THR  50           HG1      THR  50 -26.897  -8.034  -5.492
  644   1HG2  THR  50          1HG2      THR  50 -26.503  -9.273  -8.951
  645   2HG2  THR  50          2HG2      THR  50 -26.512  -9.893  -7.300
  646   3HG2  THR  50          3HG2      THR  50 -25.089  -9.056  -7.920
  647    H    GLU  51           H        GLU  51 -25.793  -4.336  -7.340
  648    HA   GLU  51           HA       GLU  51 -28.549  -3.418  -7.330
  649   1HB   GLU  51          1HB       GLU  51 -26.031  -2.016  -6.402
  650   2HB   GLU  51          2HB       GLU  51 -27.680  -1.487  -6.102
  651   1HG   GLU  51          1HG       GLU  51 -26.373  -3.983  -5.040
  652   2HG   GLU  51          2HG       GLU  51 -26.762  -2.524  -4.131
  653    H    SER  52           H        SER  52 -27.671  -0.594  -7.618
  654    HA   SER  52           HA       SER  52 -27.997  -0.460 -10.482
  655   1HB   SER  52          1HB       SER  52 -28.139   2.023 -10.005
  656   2HB   SER  52          2HB       SER  52 -29.341   1.026  -9.186
  657    HG   SER  52           HG       SER  52 -28.414   1.408  -7.298
  658    H    GLN  53           H        GLN  53 -25.349  -0.954  -8.737
  659    HA   GLN  53           HA       GLN  53 -23.127  -0.820  -9.128
  660   1HB   GLN  53          1HB       GLN  53 -23.992   0.492 -11.697
  661   2HB   GLN  53          2HB       GLN  53 -22.306   0.216 -11.282
  662   1HG   GLN  53          1HG       GLN  53 -22.822  -2.210 -11.088
  663   2HG   GLN  53          2HG       GLN  53 -24.442  -1.860 -11.691
  664   1HE2  GLN  53          1HE2      GLN  53 -22.289  -3.491 -12.828
  665   2HE2  GLN  53          2HE2      GLN  53 -21.983  -2.846 -14.404
  666    H    SER  54           H        SER  54 -24.739   2.242  -9.956
  667    HA   SER  54           HA       SER  54 -22.564   3.790  -8.854
  668   1HB   SER  54          1HB       SER  54 -25.320   4.685  -9.737
  669   2HB   SER  54          2HB       SER  54 -23.928   5.727  -9.438
  670    HG   SER  54           HG       SER  54 -23.130   3.889 -11.153
  671    H    CYS  55           H        CYS  55 -22.941   2.370  -6.839
  672    HA   CYS  55           HA       CYS  55 -25.143   3.230  -5.155
  673   1HB   CYS  55          1HB       CYS  55 -22.937   1.238  -4.598
  674   2HB   CYS  55          2HB       CYS  55 -24.389   1.478  -3.631
  675    HG   CYS  55           HG       CYS  55 -24.700  -0.902  -5.007
  676    H    LYS  56           H        LYS  56 -24.636   3.690  -2.835
  677    HA   LYS  56           HA       LYS  56 -22.579   5.749  -2.715
  678   1HB   LYS  56          1HB       LYS  56 -24.889   4.990  -0.938
  679   2HB   LYS  56          2HB       LYS  56 -23.637   6.086  -0.378
  680   1HG   LYS  56          1HG       LYS  56 -25.565   7.308  -1.190
  681   2HG   LYS  56          2HG       LYS  56 -24.155   7.626  -2.199
  682   1HD   LYS  56          1HD       LYS  56 -24.989   6.051  -3.868
  683   2HD   LYS  56          2HD       LYS  56 -26.385   5.698  -2.849
  684   1HE   LYS  56          1HE       LYS  56 -27.172   7.963  -3.060
  685   2HE   LYS  56          2HE       LYS  56 -25.714   8.429  -3.934
  686   1HZ   LYS  56          1HZ       LYS  56 -27.652   6.403  -4.913
  687   2HZ   LYS  56          2HZ       LYS  56 -26.349   7.077  -5.768
  688   3HZ   LYS  56          3HZ       LYS  56 -27.684   8.038  -5.361
  689    H    ILE  57           H        ILE  57 -20.668   5.468  -1.757
  690    HA   ILE  57           HA       ILE  57 -20.140   2.949  -0.418
  691    HB   ILE  57           HB       ILE  57 -18.245   5.214  -1.072
  692   1HG1  ILE  57          1HG1      ILE  57 -19.149   4.199  -3.088
  693   2HG1  ILE  57          2HG1      ILE  57 -17.474   3.699  -2.881
  694   1HG2  ILE  57          1HG2      ILE  57 -17.670   2.394  -0.160
  695   2HG2  ILE  57          2HG2      ILE  57 -17.454   3.858   0.800
  696   3HG2  ILE  57          3HG2      ILE  57 -16.464   3.592  -0.637
  697   1HD1  ILE  57          1HD1      ILE  57 -19.904   2.059  -2.197
  698   2HD1  ILE  57          2HD1      ILE  57 -18.227   1.555  -1.991
  699   3HD1  ILE  57          3HD1      ILE  57 -18.867   1.848  -3.608
  700    H    ASP  58           H        ASP  58 -21.206   3.102   1.461
  701    HA   ASP  58           HA       ASP  58 -20.595   5.307   3.297
  702   1HB   ASP  58          1HB       ASP  58 -22.990   4.657   2.741
  703   2HB   ASP  58          2HB       ASP  58 -22.690   3.145   3.585
  704    H    LYS  59           H        LYS  59 -20.741   4.347   5.712
  705    HA   LYS  59           HA       LYS  59 -18.357   2.936   6.127
  706   1HB   LYS  59          1HB       LYS  59 -20.720   3.328   7.974
  707   2HB   LYS  59          2HB       LYS  59 -19.138   2.750   8.480
  708   1HG   LYS  59          1HG       LYS  59 -18.120   4.826   8.016
  709   2HG   LYS  59          2HG       LYS  59 -19.530   5.402   7.123
  710   1HD   LYS  59          1HD       LYS  59 -19.427   6.438   9.322
  711   2HD   LYS  59          2HD       LYS  59 -20.838   5.388   9.195
  712   1HE   LYS  59          1HE       LYS  59 -19.863   5.021  11.334
  713   2HE   LYS  59          2HE       LYS  59 -19.513   3.606  10.343
  714   1HZ   LYS  59          1HZ       LYS  59 -17.577   4.275  11.589
  715   2HZ   LYS  59          2HZ       LYS  59 -17.637   5.837  10.931
  716   3HZ   LYS  59          3HZ       LYS  59 -17.289   4.510   9.935
  717    H    THR  60           H        THR  60 -21.716   1.866   6.047
  718    HA   THR  60           HA       THR  60 -20.959  -0.898   6.505
  719    HB   THR  60           HB       THR  60 -23.511  -1.187   6.052
  720    HG1  THR  60           HG1      THR  60 -24.681   0.624   6.016
  721   1HG2  THR  60          1HG2      THR  60 -22.458  -1.418   8.249
  722   2HG2  THR  60          2HG2      THR  60 -24.003  -0.578   8.376
  723   3HG2  THR  60          3HG2      THR  60 -22.495   0.332   8.457
  724    H    GLN  61           H        GLN  61 -22.195   1.121   3.892
  725    HA   GLN  61           HA       GLN  61 -22.883  -1.033   2.180
  726   1HB   GLN  61          1HB       GLN  61 -22.399   1.833   1.374
  727   2HB   GLN  61          2HB       GLN  61 -23.401   0.646   0.551
  728   1HG   GLN  61          1HG       GLN  61 -24.885   0.597   2.534
  729   2HG   GLN  61          2HG       GLN  61 -23.918   1.887   3.244
  730   1HE2  GLN  61          1HE2      GLN  61 -26.258   1.041   0.872
  731   2HE2  GLN  61          2HE2      GLN  61 -26.679   2.652   0.393
  732    H    ARG  62           H        ARG  62 -19.892   0.447   2.854
  733    HA   ARG  62           HA       ARG  62 -18.636   0.140   0.327
  734   1HB   ARG  62          1HB       ARG  62 -16.528   0.458   1.564
  735   2HB   ARG  62          2HB       ARG  62 -17.734   1.669   1.977
  736   1HG   ARG  62          1HG       ARG  62 -18.282   0.320   4.003
  737   2HG   ARG  62          2HG       ARG  62 -16.913  -0.720   3.610
  738   1HD   ARG  62          1HD       ARG  62 -15.379   1.096   3.858
  739   2HD   ARG  62          2HD       ARG  62 -16.697   2.258   4.010
  740    HE   ARG  62           HE       ARG  62 -17.164   0.566   6.055
  741   1HH1  ARG  62          1HH1      ARG  62 -14.318   2.318   5.039
  742   2HH1  ARG  62          2HH1      ARG  62 -13.658   2.455   6.638
  743   1HH2  ARG  62          1HH2      ARG  62 -16.333   0.785   8.177
  744   2HH2  ARG  62          2HH2      ARG  62 -14.822   1.609   8.430
  745    H    LYS  63           H        LYS  63 -19.609  -2.177   2.587
  746    HA   LYS  63           HA       LYS  63 -17.541  -4.080   1.778
  747   1HB   LYS  63          1HB       LYS  63 -19.805  -4.317   3.755
  748   2HB   LYS  63          2HB       LYS  63 -18.724  -5.638   3.349
  749   1HG   LYS  63          1HG       LYS  63 -16.883  -3.876   4.043
  750   2HG   LYS  63          2HG       LYS  63 -18.230  -3.206   4.970
  751   1HD   LYS  63          1HD       LYS  63 -17.106  -4.755   6.391
  752   2HD   LYS  63          2HD       LYS  63 -18.617  -5.517   5.885
  753   1HE   LYS  63          1HE       LYS  63 -17.150  -6.502   3.967
  754   2HE   LYS  63          2HE       LYS  63 -15.810  -6.121   5.044
  755   1HZ   LYS  63          1HZ       LYS  63 -17.080  -7.427   6.777
  756   2HZ   LYS  63          2HZ       LYS  63 -16.401  -8.319   5.510
  757   3HZ   LYS  63          3HZ       LYS  63 -18.060  -7.986   5.508
  758    H    ARG  64           H        ARG  64 -21.011  -3.535   1.486
  759    HA   ARG  64           HA       ARG  64 -21.564  -6.074   0.337
  760   1HB   ARG  64          1HB       ARG  64 -23.780  -5.200  -0.121
  761   2HB   ARG  64          2HB       ARG  64 -23.280  -4.779   1.509
  762   1HG   ARG  64          1HG       ARG  64 -22.856  -2.519   0.867
  763   2HG   ARG  64          2HG       ARG  64 -23.101  -2.907  -0.838
  764   1HD   ARG  64          1HD       ARG  64 -25.180  -3.026   1.345
  765   2HD   ARG  64          2HD       ARG  64 -25.066  -1.808   0.074
  766    HE   ARG  64           HE       ARG  64 -25.217  -4.222  -1.241
  767   1HH1  ARG  64          1HH1      ARG  64 -27.212  -2.413   0.996
  768   2HH1  ARG  64          2HH1      ARG  64 -28.700  -3.136   0.462
  769   1HH2  ARG  64          1HH2      ARG  64 -27.174  -5.165  -1.973
  770   2HH2  ARG  64          2HH2      ARG  64 -28.679  -4.670  -1.256
  771    H    CYS  65           H        CYS  65 -20.709  -2.960  -0.962
  772    HA   CYS  65           HA       CYS  65 -20.829  -4.127  -3.660
  773   1HB   CYS  65          1HB       CYS  65 -21.223  -1.269  -2.781
  774   2HB   CYS  65          2HB       CYS  65 -20.989  -1.737  -4.460
  775    HG   CYS  65           HG       CYS  65 -23.410  -3.551  -3.151
  776    HA   PRO  66           HA       PRO  66 -16.343  -3.377  -2.854
  777   1HB   PRO  66          1HB       PRO  66 -15.522  -5.524  -4.327
  778   2HB   PRO  66          2HB       PRO  66 -15.920  -5.617  -2.609
  779   1HG   PRO  66          1HG       PRO  66 -17.573  -6.366  -4.982
  780   2HG   PRO  66          2HG       PRO  66 -17.400  -7.200  -3.427
  781   1HD   PRO  66          1HD       PRO  66 -19.541  -5.650  -4.026
  782   2HD   PRO  66          2HD       PRO  66 -18.911  -5.815  -2.374
  783    H    PHE  67           H        PHE  67 -18.020  -4.333  -5.820
  784    HA   PHE  67           HA       PHE  67 -16.183  -3.312  -7.680
  785   1HB   PHE  67          1HB       PHE  67 -18.021  -4.832  -8.290
  786   2HB   PHE  67          2HB       PHE  67 -19.194  -3.577  -7.909
  787    HD1  PHE  67           HD1      PHE  67 -19.917  -2.124  -9.562
  788    HD2  PHE  67           HD2      PHE  67 -16.310  -4.307 -10.138
  789    HE1  PHE  67           HE1      PHE  67 -19.802  -1.312 -11.883
  790    HE2  PHE  67           HE2      PHE  67 -16.188  -3.498 -12.459
  791    HZ   PHE  67           HZ       PHE  67 -17.934  -2.000 -13.334
  792    H    CYS  68           H        CYS  68 -18.874  -1.820  -5.966
  793    HA   CYS  68           HA       CYS  68 -18.752   0.663  -7.339
  794   1HB   CYS  68          1HB       CYS  68 -19.874   0.089  -4.589
  795   2HB   CYS  68          2HB       CYS  68 -20.261   1.465  -5.619
  796    HG   CYS  68           HG       CYS  68 -21.831   0.212  -7.351
  797    H    ARG  69           H        ARG  69 -17.277  -0.613  -4.401
  798    HA   ARG  69           HA       ARG  69 -16.106   1.802  -3.526
  799   1HB   ARG  69          1HB       ARG  69 -16.287  -0.220  -2.107
  800   2HB   ARG  69          2HB       ARG  69 -15.094  -1.022  -3.120
  801   1HG   ARG  69          1HG       ARG  69 -13.435   0.660  -2.502
  802   2HG   ARG  69          2HG       ARG  69 -14.631   1.463  -1.484
  803   1HD   ARG  69          1HD       ARG  69 -14.828  -0.611  -0.153
  804   2HD   ARG  69          2HD       ARG  69 -13.546  -1.327  -1.132
  805    HE   ARG  69           HE       ARG  69 -12.362   0.903  -0.250
  806   1HH1  ARG  69          1HH1      ARG  69 -14.195  -1.562   1.417
  807   2HH1  ARG  69          2HH1      ARG  69 -13.371  -1.335   2.925
  808   1HH2  ARG  69          1HH2      ARG  69 -11.274   1.218   1.740
  809   2HH2  ARG  69          2HH2      ARG  69 -11.712   0.251   3.118
  810    H    PHE  70           H        PHE  70 -15.039  -0.742  -5.704
  811    HA   PHE  70           HA       PHE  70 -12.472   0.185  -6.291
  812   1HB   PHE  70          1HB       PHE  70 -13.348  -2.006  -6.992
  813   2HB   PHE  70          2HB       PHE  70 -14.464  -1.216  -8.093
  814    HD1  PHE  70           HD1      PHE  70 -10.845  -1.659  -7.393
  815    HD2  PHE  70           HD2      PHE  70 -13.845  -0.794 -10.284
  816    HE1  PHE  70           HE1      PHE  70  -9.159  -1.797  -9.181
  817    HE2  PHE  70           HE2      PHE  70 -12.167  -0.929 -12.073
  818    HZ   PHE  70           HZ       PHE  70  -9.820  -1.430 -11.524
  819    H    GLN  71           H        GLN  71 -15.568   0.878  -7.906
  820    HA   GLN  71           HA       GLN  71 -14.631   2.747  -9.762
  821   1HB   GLN  71          1HB       GLN  71 -17.322   2.664  -8.380
  822   2HB   GLN  71          2HB       GLN  71 -16.953   3.576  -9.835
  823   1HG   GLN  71          1HG       GLN  71 -16.655   0.596  -9.688
  824   2HG   GLN  71          2HG       GLN  71 -18.170   1.379 -10.123
  825   1HE2  GLN  71          1HE2      GLN  71 -15.037   2.645 -11.043
  826   2HE2  GLN  71          2HE2      GLN  71 -15.190   2.316 -12.734
  827    H    LYS  72           H        LYS  72 -15.770   3.168  -6.443
  828    HA   LYS  72           HA       LYS  72 -15.667   5.935  -6.269
  829   1HB   LYS  72          1HB       LYS  72 -16.639   4.271  -4.622
  830   2HB   LYS  72          2HB       LYS  72 -15.000   4.004  -4.048
  831   1HG   LYS  72          1HG       LYS  72 -16.082   5.552  -2.596
  832   2HG   LYS  72          2HG       LYS  72 -14.849   6.415  -3.518
  833   1HD   LYS  72          1HD       LYS  72 -16.690   7.055  -5.126
  834   2HD   LYS  72          2HD       LYS  72 -17.829   6.439  -3.926
  835   1HE   LYS  72          1HE       LYS  72 -15.769   8.564  -3.430
  836   2HE   LYS  72          2HE       LYS  72 -17.468   8.883  -3.775
  837   1HZ   LYS  72          1HZ       LYS  72 -18.055   7.653  -1.765
  838   2HZ   LYS  72          2HZ       LYS  72 -17.039   8.962  -1.407
  839   3HZ   LYS  72          3HZ       LYS  72 -16.416   7.387  -1.428
  840    H    CYS  73           H        CYS  73 -13.139   3.507  -5.807
  841    HA   CYS  73           HA       CYS  73 -11.111   5.203  -4.871
  842   1HB   CYS  73          1HB       CYS  73 -10.858   2.699  -6.558
  843   2HB   CYS  73          2HB       CYS  73  -9.548   3.461  -5.661
  844    HG   CYS  73           HG       CYS  73 -12.338   2.034  -4.278
  845    H    LEU  74           H        LEU  74 -11.685   4.016  -8.202
  846    HA   LEU  74           HA       LEU  74  -9.784   5.666  -9.424
  847   1HB   LEU  74          1HB       LEU  74 -12.241   4.277 -10.439
  848   2HB   LEU  74          2HB       LEU  74 -11.291   5.297 -11.491
  849    HG   LEU  74           HG       LEU  74  -9.298   3.846 -10.886
  850   1HD1  LEU  74          1HD1      LEU  74  -9.828   1.571 -10.152
  851   2HD1  LEU  74          2HD1      LEU  74 -11.490   2.079  -9.855
  852   3HD1  LEU  74          3HD1      LEU  74 -10.174   2.785  -8.921
  853   1HD2  LEU  74          1HD2      LEU  74 -10.415   3.730 -13.043
  854   2HD2  LEU  74          2HD2      LEU  74 -11.605   2.613 -12.375
  855   3HD2  LEU  74          3HD2      LEU  74  -9.916   2.125 -12.508
  856    H    THR  75           H        THR  75 -12.976   6.367  -8.297
  857    HA   THR  75           HA       THR  75 -13.494   8.683  -9.829
  858    HB   THR  75           HB       THR  75 -14.473   7.884  -7.084
  859    HG1  THR  75           HG1      THR  75 -15.099   6.585  -8.953
  860   1HG2  THR  75          1HG2      THR  75 -16.229   9.569  -7.380
  861   2HG2  THR  75          2HG2      THR  75 -15.465  10.102  -8.879
  862   3HG2  THR  75          3HG2      THR  75 -14.625  10.306  -7.341
  863    H    VAL  76           H        VAL  76 -12.085   8.279  -6.575
  864    HA   VAL  76           HA       VAL  76 -11.877  11.093  -6.166
  865    HB   VAL  76           HB       VAL  76 -10.703  10.566  -4.105
  866   1HG1  VAL  76          1HG1      VAL  76 -13.029   8.720  -4.629
  867   2HG1  VAL  76          2HG1      VAL  76 -13.128  10.409  -4.132
  868   3HG1  VAL  76          3HG1      VAL  76 -12.443   9.207  -3.038
  869   1HG2  VAL  76          1HG2      VAL  76  -9.320   8.718  -4.970
  870   2HG2  VAL  76          2HG2      VAL  76 -10.753   7.693  -5.022
  871   3HG2  VAL  76          3HG2      VAL  76 -10.153   8.292  -3.475
  872    H    GLY  77           H        GLY  77  -9.808   8.734  -7.618
  873   1HA   GLY  77          1HA       GLY  77  -8.194  10.099  -9.101
  874   2HA   GLY  77          2HA       GLY  77  -7.569  10.643  -7.554
  875    H    MET  78           H        MET  78  -8.509   7.530  -7.063
  876    HA   MET  78           HA       MET  78  -5.818   6.559  -7.100
  877   1HB   MET  78          1HB       MET  78  -8.424   5.097  -6.626
  878   2HB   MET  78          2HB       MET  78  -6.824   4.415  -6.369
  879   1HG   MET  78          1HG       MET  78  -6.385   6.105  -4.658
  880   2HG   MET  78          2HG       MET  78  -7.998   6.771  -4.910
  881   1HE   MET  78          1HE       MET  78  -7.111   2.981  -5.076
  882   2HE   MET  78          2HE       MET  78  -7.318   2.466  -3.401
  883   3HE   MET  78          3HE       MET  78  -5.992   3.545  -3.834
  884    H    ARG  79           H        ARG  79  -4.831   5.989  -8.911
  885    HA   ARG  79           HA       ARG  79  -6.444   5.090 -11.176
  886   1HB   ARG  79          1HB       ARG  79  -3.544   5.923 -11.091
  887   2HB   ARG  79          2HB       ARG  79  -4.452   5.514 -12.539
  888   1HG   ARG  79          1HG       ARG  79  -5.984   7.406 -12.033
  889   2HG   ARG  79          2HG       ARG  79  -4.906   7.855 -10.708
  890   1HD   ARG  79          1HD       ARG  79  -3.055   7.909 -12.440
  891   2HD   ARG  79          2HD       ARG  79  -4.330   7.829 -13.656
  892    HE   ARG  79           HE       ARG  79  -4.679   9.922 -11.692
  893   1HH1  ARG  79          1HH1      ARG  79  -3.294   9.081 -14.809
  894   2HH1  ARG  79          2HH1      ARG  79  -3.254  10.728 -15.367
  895   1HH2  ARG  79          1HH2      ARG  79  -4.620  12.070 -12.426
  896   2HH2  ARG  79          2HH2      ARG  79  -4.011  12.428 -14.010
  897    H    LEU  80           H        LEU  80  -5.447   3.410 -12.576
  898    HA   LEU  80           HA       LEU  80  -5.178   1.055 -10.951
  899   1HB   LEU  80          1HB       LEU  80  -5.117   1.412 -13.945
  900   2HB   LEU  80          2HB       LEU  80  -5.212  -0.129 -13.111
  901    HG   LEU  80           HG       LEU  80  -7.305   2.019 -12.814
  902   1HD1  LEU  80          1HD1      LEU  80  -7.305  -0.352 -14.669
  903   2HD1  LEU  80          2HD1      LEU  80  -7.137   1.335 -15.155
  904   3HD1  LEU  80          3HD1      LEU  80  -8.638   0.775 -14.413
  905   1HD2  LEU  80          1HD2      LEU  80  -7.214   0.358 -11.026
  906   2HD2  LEU  80          2HD2      LEU  80  -7.314  -0.938 -12.218
  907   3HD2  LEU  80          3HD2      LEU  80  -8.672   0.168 -12.001
  908    H    GLU  81           H        GLU  81  -3.147   2.940 -13.082
  909    HA   GLU  81           HA       GLU  81  -0.931   1.168 -13.097
  910   1HB   GLU  81          1HB       GLU  81   0.344   3.282 -13.791
  911   2HB   GLU  81          2HB       GLU  81  -0.939   2.714 -14.847
  912   1HG   GLU  81          1HG       GLU  81  -1.597   4.752 -12.786
  913   2HG   GLU  81          2HG       GLU  81  -0.693   5.251 -14.214
  914    H    ALA  82           H        ALA  82  -2.185   2.981 -10.594
  915    HA   ALA  82           HA       ALA  82   0.227   3.762  -9.290
  916   1HB   ALA  82          1HB       ALA  82  -1.178   4.128  -7.329
  917   2HB   ALA  82          2HB       ALA  82  -2.516   3.297  -8.123
  918   3HB   ALA  82          3HB       ALA  82  -1.915   4.822  -8.773
  919    H    VAL  83           H        VAL  83  -1.457   0.808  -9.662
  920    HA   VAL  83           HA       VAL  83   0.045  -0.460  -7.493
  921    HB   VAL  83           HB       VAL  83  -2.511  -0.892  -8.286
  922   1HG1  VAL  83          1HG1      VAL  83  -2.643  -3.048  -9.443
  923   2HG1  VAL  83          2HG1      VAL  83  -0.903  -2.984  -9.725
  924   3HG1  VAL  83          3HG1      VAL  83  -1.959  -1.772 -10.452
  925   1HG2  VAL  83          1HG2      VAL  83  -1.470  -1.714  -6.234
  926   2HG2  VAL  83          2HG2      VAL  83  -0.705  -3.016  -7.147
  927   3HG2  VAL  83          3HG2      VAL  83  -2.465  -2.946  -7.011
  928    H    ARG  84           H        ARG  84   1.585  -2.101  -7.934
  929    HA   ARG  84           HA       ARG  84   2.737  -1.911 -10.605
  930   1HB   ARG  84          1HB       ARG  84   3.792  -3.180  -8.075
  931   2HB   ARG  84          2HB       ARG  84   4.646  -3.171  -9.610
  932   1HG   ARG  84          1HG       ARG  84   3.846  -0.708  -8.079
  933   2HG   ARG  84          2HG       ARG  84   5.441  -1.458  -8.027
  934   1HD   ARG  84          1HD       ARG  84   5.623   0.308  -9.567
  935   2HD   ARG  84          2HD       ARG  84   5.512  -1.154 -10.540
  936    HE   ARG  84           HE       ARG  84   3.125   0.492 -10.043
  937   1HH1  ARG  84          1HH1      ARG  84   5.443  -0.933 -12.254
  938   2HH1  ARG  84          2HH1      ARG  84   4.489  -0.578 -13.665
  939   1HH2  ARG  84          1HH2      ARG  84   1.894   0.991 -11.918
  940   2HH2  ARG  84          2HH2      ARG  84   2.498   0.510 -13.482
  941    H    ALA  85           H        ALA  85   1.612  -3.202 -11.965
  942    HA   ALA  85           HA       ALA  85   0.553  -5.737 -11.326
  943   1HB   ALA  85          1HB       ALA  85   1.327  -4.652 -14.034
  944   2HB   ALA  85          2HB       ALA  85  -0.223  -4.407 -13.230
  945   3HB   ALA  85          3HB       ALA  85   0.264  -6.026 -13.729
  946    H    ASP  86           H        ASP  86   3.716  -4.720 -11.834
  947    HA   ASP  86           HA       ASP  86   4.914  -7.094 -12.823
  948   1HB   ASP  86          1HB       ASP  86   6.147  -4.970 -11.053
  949   2HB   ASP  86          2HB       ASP  86   7.010  -6.109 -12.079
  950    H    ARG  87           H        ARG  87   3.366  -6.452  -9.938
  951    HA   ARG  87           HA       ARG  87   3.189  -7.497  -7.924
  952   1HB   ARG  87          1HB       ARG  87   3.714  -9.534  -9.611
  953   2HB   ARG  87          2HB       ARG  87   5.157  -9.621  -8.618
  954   1HG   ARG  87          1HG       ARG  87   2.407  -9.642  -7.426
  955   2HG   ARG  87          2HG       ARG  87   3.209 -11.110  -7.982
  956   1HD   ARG  87          1HD       ARG  87   5.167 -10.271  -6.486
  957   2HD   ARG  87          2HD       ARG  87   3.916  -9.298  -5.713
  958    HE   ARG  87           HE       ARG  87   2.842 -11.788  -5.726
  959   1HH1  ARG  87          1HH1      ARG  87   5.877 -10.454  -4.594
  960   2HH1  ARG  87          2HH1      ARG  87   6.139 -11.705  -3.420
  961   1HH2  ARG  87          1HH2      ARG  87   3.173 -13.431  -4.148
  962   2HH2  ARG  87          2HH2      ARG  87   4.598 -13.374  -3.140
  963    H    MET  88           H        MET  88   5.477  -5.688  -8.829
  964    HA   MET  88           HA       MET  88   7.565  -6.438  -6.932
  965   1HB   MET  88          1HB       MET  88   8.037  -5.643  -9.318
  966   2HB   MET  88          2HB       MET  88   7.561  -4.043  -8.767
  967   1HG   MET  88          1HG       MET  88   9.979  -4.321  -8.746
  968   2HG   MET  88          2HG       MET  88   9.343  -4.052  -7.123
  969   1HE   MET  88          1HE       MET  88  11.806  -4.906  -6.301
  970   2HE   MET  88          2HE       MET  88  12.270  -5.280  -7.962
  971   3HE   MET  88          3HE       MET  88  12.450  -6.499  -6.700
  972    H    ARG  89           H        ARG  89   7.485  -5.691  -4.932
  973    HA   ARG  89           HA       ARG  89   5.542  -3.817  -4.078
  974   1HB   ARG  89          1HB       ARG  89   7.941  -4.969  -2.650
  975   2HB   ARG  89          2HB       ARG  89   6.708  -3.985  -1.873
  976   1HG   ARG  89          1HG       ARG  89   5.023  -5.640  -2.342
  977   2HG   ARG  89          2HG       ARG  89   6.179  -6.601  -3.268
  978   1HD   ARG  89          1HD       ARG  89   7.516  -6.943  -1.256
  979   2HD   ARG  89          2HD       ARG  89   6.381  -5.966  -0.327
  980    HE   ARG  89           HE       ARG  89   4.794  -7.886  -1.348
  981   1HH1  ARG  89          1HH1      ARG  89   7.828  -8.011   0.393
  982   2HH1  ARG  89          2HH1      ARG  89   7.498  -9.560   1.115
  983   1HH2  ARG  89          1HH2      ARG  89   4.361  -9.922  -0.410
  984   2HH2  ARG  89          2HH2      ARG  89   5.544 -10.664   0.628
  985    H    GLY  90           H        GLY  90   8.726  -3.439  -5.279
  986   1HA   GLY  90          1HA       GLY  90   9.217  -0.872  -4.072
  987   2HA   GLY  90          2HA       GLY  90  10.162  -1.623  -5.350
  988    H    GLY  91           H        GLY  91   6.859  -0.350  -4.916
  989   1HA   GLY  91          1HA       GLY  91   6.923   0.649  -7.671
  990   2HA   GLY  91          2HA       GLY  91   5.504   0.541  -6.639
  991    H    ARG  92           H        ARG  92   8.556   1.929  -5.681
  992    HA   ARG  92           HA       ARG  92   7.182   4.440  -5.111
  993   1HB   ARG  92          1HB       ARG  92   8.279   3.568  -3.213
  994   2HB   ARG  92          2HB       ARG  92   9.719   3.157  -4.128
  995   1HG   ARG  92          1HG       ARG  92  10.244   5.536  -4.364
  996   2HG   ARG  92          2HG       ARG  92   8.803   5.937  -3.423
  997   1HD   ARG  92          1HD       ARG  92   9.674   4.910  -1.478
  998   2HD   ARG  92          2HD       ARG  92  10.969   4.130  -2.381
  999    HE   ARG  92           HE       ARG  92  12.056   6.249  -2.577
 1000   1HH1  ARG  92          1HH1      ARG  92   9.241   6.258  -0.501
 1001   2HH1  ARG  92          2HH1      ARG  92   9.775   7.621   0.438
 1002   1HH2  ARG  92          1HH2      ARG  92  12.766   8.047  -1.345
 1003   2HH2  ARG  92          2HH2      ARG  92  11.782   8.641  -0.049
 1004    H    ASN  93           H        ASN  93   7.167   5.557  -7.050
 1005    HA   ASN  93           HA       ASN  93   9.352   7.200  -7.570
 1006   1HB   ASN  93          1HB       ASN  93  10.310   5.070  -8.558
 1007   2HB   ASN  93          2HB       ASN  93   9.048   5.163  -9.784
 1008   1HD2  ASN  93          1HD2      ASN  93  10.439   5.480 -11.498
 1009   2HD2  ASN  93          2HD2      ASN  93  11.359   6.938 -11.704
 1010    H    LYS  94           H        LYS  94   6.867   5.514  -9.491
 1011    HA   LYS  94           HA       LYS  94   6.508   7.454 -11.423
 1012   1HB   LYS  94          1HB       LYS  94   4.588   5.401 -10.344
 1013   2HB   LYS  94          2HB       LYS  94   4.223   6.404 -11.740
 1014   1HG   LYS  94          1HG       LYS  94   6.601   4.569 -11.541
 1015   2HG   LYS  94          2HG       LYS  94   5.071   4.152 -12.316
 1016   1HD   LYS  94          1HD       LYS  94   5.351   5.933 -13.922
 1017   2HD   LYS  94          2HD       LYS  94   6.809   6.490 -13.098
 1018   1HE   LYS  94          1HE       LYS  94   7.922   4.387 -13.632
 1019   2HE   LYS  94          2HE       LYS  94   6.459   3.805 -14.427
 1020   1HZ   LYS  94          1HZ       LYS  94   6.705   5.317 -16.155
 1021   2HZ   LYS  94          2HZ       LYS  94   8.297   4.801 -15.870
 1022   3HZ   LYS  94          3HZ       LYS  94   7.773   6.307 -15.287
 1023    H    PHE  95           H        PHE  95   4.630   7.099  -8.418
 1024    HA   PHE  95           HA       PHE  95   3.119   9.482  -9.156
 1025   1HB   PHE  95          1HB       PHE  95   2.688   7.325  -7.103
 1026   2HB   PHE  95          2HB       PHE  95   1.758   8.820  -7.079
 1027    HD1  PHE  95           HD1      PHE  95   2.680   5.998  -9.330
 1028    HD2  PHE  95           HD2      PHE  95  -0.171   8.998  -8.335
 1029    HE1  PHE  95           HE1      PHE  95   1.125   5.068 -10.994
 1030    HE2  PHE  95           HE2      PHE  95  -1.730   8.072  -9.996
 1031    HZ   PHE  95           HZ       PHE  95  -1.083   6.105 -11.329
 1032    H    GLY  96           H        GLY  96   5.970   9.232  -7.888
 1033   1HA   GLY  96          1HA       GLY  96   5.909  10.316  -5.305
 1034   2HA   GLY  96          2HA       GLY  96   7.248  10.462  -6.431
 1035    HA   PRO  97           HA       PRO  97   6.631  14.764  -7.115
 1036   1HB   PRO  97          1HB       PRO  97   5.832  14.361  -9.947
 1037   2HB   PRO  97          2HB       PRO  97   7.146  15.331  -9.274
 1038   1HG   PRO  97          1HG       PRO  97   7.658  13.021 -10.491
 1039   2HG   PRO  97          2HG       PRO  97   8.554  13.499  -9.037
 1040   1HD   PRO  97          1HD       PRO  97   6.309  11.539  -9.322
 1041   2HD   PRO  97          2HD       PRO  97   7.774  11.434  -8.325
 1042    H    MET  98           H        MET  98   4.041  12.872  -8.670
 1043    HA   MET  98           HA       MET  98   2.230  15.020  -8.839
 1044   1HB   MET  98          1HB       MET  98   0.538  13.435  -9.426
 1045   2HB   MET  98          2HB       MET  98   2.040  12.964 -10.192
 1046   1HG   MET  98          1HG       MET  98   1.155  10.978  -9.487
 1047   2HG   MET  98          2HG       MET  98   2.330  11.375  -8.245
 1048   1HE   MET  98          1HE       MET  98  -1.490  11.492  -9.196
 1049   2HE   MET  98          2HE       MET  98  -1.144  13.130  -8.643
 1050   3HE   MET  98          3HE       MET  98  -2.196  12.082  -7.691
 1051    H    TYR  99           H        TYR  99   2.968  12.820  -6.229
 1052    HA   TYR  99           HA       TYR  99   0.840  13.195  -4.502
 1053   1HB   TYR  99          1HB       TYR  99   3.802  13.114  -3.922
 1054   2HB   TYR  99          2HB       TYR  99   2.584  13.118  -2.660
 1055    HD1  TYR  99           HD1      TYR  99   4.787  11.030  -3.410
 1056    HD2  TYR  99           HD2      TYR  99   0.606  11.278  -4.173
 1057    HE1  TYR  99           HE1      TYR  99   4.671   8.580  -3.544
 1058    HE2  TYR  99           HE2      TYR  99   0.483   8.833  -4.319
 1059    HH   TYR  99           HH       TYR  99   1.868   6.933  -4.686
 1060    H    LYS 100           H        LYS 100   3.743  15.168  -4.780
 1061    HA   LYS 100           HA       LYS 100   2.913  17.162  -2.955
 1062   1HB   LYS 100          1HB       LYS 100   5.030  17.134  -5.103
 1063   2HB   LYS 100          2HB       LYS 100   4.848  18.427  -3.923
 1064   1HG   LYS 100          1HG       LYS 100   5.383  16.960  -2.126
 1065   2HG   LYS 100          2HG       LYS 100   5.306  15.549  -3.181
 1066   1HD   LYS 100          1HD       LYS 100   7.617  16.157  -2.721
 1067   2HD   LYS 100          2HD       LYS 100   7.242  16.381  -4.430
 1068   1HE   LYS 100          1HE       LYS 100   8.575  18.232  -3.531
 1069   2HE   LYS 100          2HE       LYS 100   6.992  18.770  -4.087
 1070   1HZ   LYS 100          1HZ       LYS 100   6.227  18.966  -1.889
 1071   2HZ   LYS 100          2HZ       LYS 100   7.761  19.679  -1.893
 1072   3HZ   LYS 100          3HZ       LYS 100   7.551  18.124  -1.249
 1073    H    ARG 101           H        ARG 101   2.663  16.780  -6.436
 1074    HA   ARG 101           HA       ARG 101   1.772  19.377  -7.060
 1075   1HB   ARG 101          1HB       ARG 101   2.497  17.660  -8.735
 1076   2HB   ARG 101          2HB       ARG 101   0.983  16.809  -8.447
 1077   1HG   ARG 101          1HG       ARG 101  -0.249  18.810  -9.198
 1078   2HG   ARG 101          2HG       ARG 101   1.292  19.587  -9.568
 1079   1HD   ARG 101          1HD       ARG 101   0.245  17.040 -10.798
 1080   2HD   ARG 101          2HD       ARG 101   0.280  18.624 -11.570
 1081    HE   ARG 101           HE       ARG 101   2.886  17.978 -10.754
 1082   1HH1  ARG 101          1HH1      ARG 101   0.472  16.901 -13.064
 1083   2HH1  ARG 101          2HH1      ARG 101   1.643  16.325 -14.213
 1084   1HH2  ARG 101          1HH2      ARG 101   4.429  17.238 -12.269
 1085   2HH2  ARG 101          2HH2      ARG 101   3.896  16.528 -13.766
 1086    H    ASP 102           H        ASP 102  -0.023  16.394  -6.319
 1087    HA   ASP 102           HA       ASP 102  -2.601  17.451  -6.619
 1088   1HB   ASP 102          1HB       ASP 102  -2.135  15.032  -6.477
 1089   2HB   ASP 102          2HB       ASP 102  -1.715  15.220  -4.777
 1090    H    ARG 103           H        ARG 103  -0.522  17.215  -3.764
 1091    HA   ARG 103           HA       ARG 103  -2.285  18.294  -1.889
 1092   1HB   ARG 103          1HB       ARG 103  -0.159  17.270  -1.252
 1093   2HB   ARG 103          2HB       ARG 103   0.724  18.573  -2.036
 1094   1HG   ARG 103          1HG       ARG 103  -0.195  20.169  -0.441
 1095   2HG   ARG 103          2HG       ARG 103  -1.106  18.875   0.336
 1096   1HD   ARG 103          1HD       ARG 103   0.921  17.780   1.014
 1097   2HD   ARG 103          2HD       ARG 103   1.896  18.920   0.087
 1098    HE   ARG 103           HE       ARG 103   0.268  20.244   2.024
 1099   1HH1  ARG 103          1HH1      ARG 103   3.177  18.310   1.742
 1100   2HH1  ARG 103          2HH1      ARG 103   3.986  19.108   3.063
 1101   1HH2  ARG 103          1HH2      ARG 103   1.333  21.308   3.738
 1102   2HH2  ARG 103          2HH2      ARG 103   2.952  20.836   4.172
 1103    H    ALA 104           H        ALA 104  -0.024  19.902  -4.093
 1104    HA   ALA 104           HA       ALA 104  -0.576  22.536  -3.172
 1105   1HB   ALA 104          1HB       ALA 104   0.549  21.648  -5.827
 1106   2HB   ALA 104          2HB       ALA 104   1.486  21.964  -4.366
 1107   3HB   ALA 104          3HB       ALA 104   0.619  23.279  -5.159
 1108    H    LEU 105           H        LEU 105  -1.929  20.489  -5.689
 1109    HA   LEU 105           HA       LEU 105  -3.508  22.423  -6.987
 1110   1HB   LEU 105          1HB       LEU 105  -3.965  19.455  -6.671
 1111   2HB   LEU 105          2HB       LEU 105  -4.843  20.487  -7.784
 1112    HG   LEU 105           HG       LEU 105  -1.877  19.940  -7.874
 1113   1HD1  LEU 105          1HD1      LEU 105  -3.215  17.997  -8.505
 1114   2HD1  LEU 105          2HD1      LEU 105  -2.372  18.682  -9.894
 1115   3HD1  LEU 105          3HD1      LEU 105  -4.097  18.982  -9.674
 1116   1HD2  LEU 105          1HD2      LEU 105  -2.453  22.174  -8.661
 1117   2HD2  LEU 105          2HD2      LEU 105  -3.649  21.485  -9.759
 1118   3HD2  LEU 105          3HD2      LEU 105  -1.935  21.139  -9.992
 1119    H    LYS 106           H        LYS 106  -4.241  20.190  -4.345
 1120    HA   LYS 106           HA       LYS 106  -6.907  21.053  -3.980
 1121   1HB   LYS 106          1HB       LYS 106  -4.979  19.588  -2.199
 1122   2HB   LYS 106          2HB       LYS 106  -6.610  19.995  -1.676
 1123   1HG   LYS 106          1HG       LYS 106  -7.533  18.740  -3.557
 1124   2HG   LYS 106          2HG       LYS 106  -5.899  18.331  -4.083
 1125   1HD   LYS 106          1HD       LYS 106  -5.509  17.056  -2.099
 1126   2HD   LYS 106          2HD       LYS 106  -7.021  17.618  -1.383
 1127   1HE   LYS 106          1HE       LYS 106  -7.191  15.321  -2.256
 1128   2HE   LYS 106          2HE       LYS 106  -8.298  16.432  -3.060
 1129   1HZ   LYS 106          1HZ       LYS 106  -6.761  16.566  -4.917
 1130   2HZ   LYS 106          2HZ       LYS 106  -7.200  14.955  -4.636
 1131   3HZ   LYS 106          3HZ       LYS 106  -5.676  15.521  -4.139
 1132    H    GLN 107           H        GLN 107  -3.846  22.095  -2.539
 1133    HA   GLN 107           HA       GLN 107  -4.889  23.982  -0.726
 1134   1HB   GLN 107          1HB       GLN 107  -2.288  23.876  -2.245
 1135   2HB   GLN 107          2HB       GLN 107  -2.660  25.173  -1.124
 1136   1HG   GLN 107          1HG       GLN 107  -2.826  23.578   0.696
 1137   2HG   GLN 107          2HG       GLN 107  -2.512  22.251  -0.426
 1138   1HE2  GLN 107          1HE2      GLN 107  -0.658  21.652   0.717
 1139   2HE2  GLN 107          2HE2      GLN 107   0.815  22.557   0.601
 1140    H    GLN 108           H        GLN 108  -4.164  24.128  -4.146
 1141    HA   GLN 108           HA       GLN 108  -4.364  26.915  -4.497
 1142   1HB   GLN 108          1HB       GLN 108  -3.408  25.107  -6.075
 1143   2HB   GLN 108          2HB       GLN 108  -5.068  24.895  -6.614
 1144   1HG   GLN 108          1HG       GLN 108  -4.058  26.364  -8.143
 1145   2HG   GLN 108          2HG       GLN 108  -5.092  27.361  -7.119
 1146   1HE2  GLN 108          1HE2      GLN 108  -1.844  26.528  -7.965
 1147   2HE2  GLN 108          2HE2      GLN 108  -1.068  27.851  -7.163
 1148    H    LYS 109           H        LYS 109  -6.727  24.385  -4.309
 1149    HA   LYS 109           HA       LYS 109  -8.843  26.131  -5.310
 1150   1HB   LYS 109          1HB       LYS 109  -8.986  23.227  -4.486
 1151   2HB   LYS 109          2HB       LYS 109 -10.235  24.138  -5.327
 1152   1HG   LYS 109          1HG       LYS 109  -8.784  24.380  -7.259
 1153   2HG   LYS 109          2HG       LYS 109  -7.498  23.516  -6.415
 1154   1HD   LYS 109          1HD       LYS 109  -8.983  21.543  -6.260
 1155   2HD   LYS 109          2HD       LYS 109 -10.191  22.415  -7.206
 1156   1HE   LYS 109          1HE       LYS 109  -7.415  21.639  -8.094
 1157   2HE   LYS 109          2HE       LYS 109  -8.935  20.937  -8.649
 1158   1HZ   LYS 109          1HZ       LYS 109  -9.513  23.248  -9.428
 1159   2HZ   LYS 109          2HZ       LYS 109  -8.293  22.457 -10.292
 1160   3HZ   LYS 109          3HZ       LYS 109  -7.887  23.662  -9.167
 1161    H    LYS 110           H        LYS 110  -8.462  23.894  -2.546
 1162    HA   LYS 110           HA       LYS 110 -10.275  25.665  -1.048
 1163   1HB   LYS 110          1HB       LYS 110 -11.342  23.541  -1.615
 1164   2HB   LYS 110          2HB       LYS 110 -10.011  22.659  -0.882
 1165   1HG   LYS 110          1HG       LYS 110 -11.983  22.720   0.559
 1166   2HG   LYS 110          2HG       LYS 110 -10.598  23.523   1.302
 1167   1HD   LYS 110          1HD       LYS 110 -11.498  25.696   0.665
 1168   2HD   LYS 110          2HD       LYS 110 -12.863  24.911  -0.132
 1169   1HE   LYS 110          1HE       LYS 110 -12.209  24.690   2.804
 1170   2HE   LYS 110          2HE       LYS 110 -13.416  25.777   2.119
 1171   1HZ   LYS 110          1HZ       LYS 110 -14.426  23.754   2.959
 1172   2HZ   LYS 110          2HZ       LYS 110 -13.458  22.809   1.940
 1173   3HZ   LYS 110          3HZ       LYS 110 -14.617  23.853   1.275
 1174    H    ALA 111           H        ALA 111  -9.029  26.806   0.266
 1175    HA   ALA 111           HA       ALA 111  -7.279  25.322   2.103
 1176   1HB   ALA 111          1HB       ALA 111  -5.712  27.199   2.113
 1177   2HB   ALA 111          2HB       ALA 111  -6.694  28.034   0.909
 1178   3HB   ALA 111          3HB       ALA 111  -5.879  26.528   0.492
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1  30.136   1.413   1.219
    2   2H5*    G   1          2H5*        G   1  29.188  -0.081   1.319
    3    H4*    G   1           H4*        G   1  29.466   1.457   3.391
    4    H3*    G   1           H3*        G   1  27.764  -0.555   3.000
    5    H1*    G   1           H1*        G   1  26.238   3.004   3.691
    6    H8     G   1           H8         G   1  26.440   1.989  -0.048
    7    H1     G   1           H1         G   1  22.913   7.185   1.287
    8   1H2     G   1          1H2         G   1  22.962   7.599   3.451
    9   2H2     G   1          2H2         G   1  23.858   6.603   4.575
   10    H5T    G   1           H5T        G   1  27.908   0.699  -0.126
   11   1H2*    G   1          1H2*        G   1  26.016   0.602   1.849
   12   2H2*    G   1          2H2*        G   1  25.458   0.777   3.506
   13   1H5*    G   2          1H5*        G   2  26.987   2.083   6.532
   14   2H5*    G   2          2H5*        G   2  26.465   1.366   8.071
   15    H4*    G   2           H4*        G   2  25.356   3.454   7.760
   16    H3*    G   2           H3*        G   2  23.923   1.167   8.329
   17    H1*    G   2           H1*        G   2  22.836   3.950   5.972
   18    H8     G   2           H8         G   2  23.964   0.916   3.820
   19    H1     G   2           H1         G   2  20.216   5.241   0.904
   20   1H2     G   2          1H2         G   2  19.652   6.830   2.329
   21   2H2     G   2          2H2         G   2  20.195   6.826   3.991
   22   1H2*    G   2          1H2*        G   2  22.918   0.891   6.179
   23   2H2*    G   2          2H2*        G   2  21.753   1.982   6.915
   24   1H5*    C   3          1H5*        C   3  22.255   5.395   9.132
   25   2H5*    C   3          2H5*        C   3  21.374   5.447  10.674
   26    H4*    C   3           H4*        C   3  20.519   7.137   9.218
   27    H3*    C   3           H3*        C   3  18.841   5.440  10.502
   28    H1*    C   3           H1*        C   3  18.372   6.293   6.760
   29   1H4     C   3          1H4         C   3  18.784   1.748   2.379
   30   2H4     C   3          2H4         C   3  19.780   0.743   3.410
   31    H5     C   3           H5         C   3  20.406   1.384   5.663
   32    H6     C   3           H6         C   3  20.214   3.117   7.368
   33   1H2*    C   3          1H2*        C   3  18.400   3.935   8.701
   34   2H2*    C   3          2H2*        C   3  17.121   5.111   8.436
   35   1H5*    T   4          1H5*        T   4  16.894   7.816   7.021
   36   2H5*    T   4          2H5*        T   4  16.290   9.089   8.099
   37    H4*    T   4           H4*        T   4  14.770   9.362   6.489
   38    H3*    T   4           H3*        T   4  13.592   7.963   8.499
   39   1H2*    T   4          1H2*        T   4  13.724   5.783   7.541
   40   2H2*    T   4          2H2*        T   4  12.179   6.305   6.882
   41    H1*    T   4           H1*        T   4  13.147   6.985   4.789
   42    H3     T   4           H3         T   4  14.254   3.377   2.401
   43   1H5M    T   4          1H5M        T   4  17.127   2.926   6.800
   44   2H5M    T   4          2H5M        T   4  15.679   1.942   7.119
   45   3H5M    T   4          3H5M        T   4  16.748   1.534   5.757
   46    H6     T   4           H6         T   4  15.290   4.776   6.843
   47   1H5*    C   5          1H5*        C   5  12.388   8.546   3.640
   48   2H5*    C   5          2H5*        C   5  11.147   9.629   4.305
   49    H4*    C   5           H4*        C   5  10.477   8.935   2.122
   50    H3*    C   5           H3*        C   5   8.723   8.828   4.118
   51    H1*    C   5           H1*        C   5   9.227   5.586   1.992
   52   1H4     C   5          1H4         C   5  12.513   0.755   4.434
   53   2H4     C   5          2H4         C   5  12.455   1.466   6.032
   54    H5     C   5           H5         C   5  11.481   3.643   6.470
   55    H6     C   5           H6         C   5  10.385   5.573   5.461
   56   1H2*    C   5          1H2*        C   5   9.118   6.583   4.862
   57   2H2*    C   5          2H2*        C   5   7.794   6.320   3.736
   58   1H5*    A   6          1H5*        A   6   7.247   8.399  -0.221
   59   2H5*    A   6          2H5*        A   6   5.511   8.600  -0.534
   60    H4*    A   6           H4*        A   6   6.598   7.063  -2.102
   61    H3*    A   6           H3*        A   6   4.132   6.666  -1.038
   62    H1*    A   6           H1*        A   6   6.727   3.866  -1.301
   63    H8     A   6           H8         A   6   6.907   5.300   2.301
   64   1H6     A   6          1H6         A   6   9.173  -0.246   3.852
   65   2H6     A   6          2H6         A   6   8.774   1.359   4.427
   66    H2     A   6           H2         A   6   8.164  -0.330  -0.523
   67   1H2*    A   6          1H2*        A   6   4.769   5.126   0.687
   68   2H2*    A   6          2H2*        A   6   4.406   4.014  -0.624
   69   1H5*    G   7          1H5*        G   7   5.852   2.374  -4.618
   70   2H5*    G   7          2H5*        G   7   4.115   2.584  -4.933
   71    H4*    G   7           H4*        G   7   5.037   0.213  -4.675
   72    H3*    G   7           H3*        G   7   2.496   1.162  -4.193
   73    H1*    G   7           H1*        G   7   4.412  -1.260  -1.988
   74    H8     G   7           H8         G   7   4.251   2.184  -0.175
   75    H1     G   7           H1         G   7   5.950  -2.879   3.392
   76   1H2     G   7          1H2         G   7   5.958  -4.698   2.150
   77   2H2     G   7          2H2         G   7   5.535  -4.666   0.453
   78   1H2*    G   7          1H2*        G   7   2.657   1.248  -1.808
   79   2H2*    G   7          2H2*        G   7   2.126  -0.416  -2.019
   80   1H5*    G   8          1H5*        G   8   4.029  -3.143  -4.230
   81   2H5*    G   8          2H5*        G   8   3.089  -3.557  -5.678
   82    H4*    G   8           H4*        G   8   4.056  -5.559  -4.930
   83    H3*    G   8           H3*        G   8   1.416  -5.549  -5.276
   84    H1*    G   8           H1*        G   8   2.747  -6.732  -1.722
   85    H8     G   8           H8         G   8   1.179  -3.222  -2.038
   86    H1     G   8           H1         G   8   3.238  -4.852   3.821
   87   1H2     G   8          1H2         G   8   4.261  -6.808   3.743
   88   2H2     G   8          2H2         G   8   4.435  -7.709   2.252
   89   1H2*    G   8          1H2*        G   8   0.663  -5.030  -3.090
   90   2H2*    G   8          2H2*        G   8   0.745  -6.778  -2.931
   91   1H5*    G   9          1H5*        G   9   4.376  -8.137  -2.178
   92   2H5*    G   9          2H5*        G   9   4.102  -9.485  -3.302
   93    H4*    G   9           H4*        G   9   4.784 -10.371  -1.198
   94    H3*    G   9           H3*        G   9   2.627 -11.387  -2.419
   95    H1*    G   9           H1*        G   9   2.312 -10.323   1.353
   96    H8     G   9           H8         G   9   0.470  -8.107  -1.193
   97    H1     G   9           H1         G   9   0.260  -6.066   4.892
   98   1H2     G   9          1H2         G   9   1.525  -7.345   6.167
   99   2H2     G   9          2H2         G   9   2.428  -8.699   5.525
  100   1H2*    G   9          1H2*        G   9   0.907 -10.136  -1.334
  101   2H2*    G   9          2H2*        G   9   1.014 -11.504  -0.235
  102   1H5*    C  10          1H5*        C  10   3.825 -12.973   1.611
  103   2H5*    C  10          2H5*        C  10   3.704 -14.724   1.888
  104    H4*    C  10           H4*        C  10   3.241 -13.602   3.930
  105    H3*    C  10           H3*        C  10   1.451 -15.439   2.910
  106    H1*    C  10           H1*        C  10   0.510 -12.164   4.675
  107   1H4     C  10          1H4         C  10  -3.122  -7.827   1.853
  108   2H4     C  10          2H4         C  10  -3.027  -8.648   0.308
  109    H5     C  10           H5         C  10  -1.710 -10.652  -0.037
  110    H6     C  10           H6         C  10  -0.256 -12.288   1.035
  111   1H2*    C  10          1H2*        C  10  -0.274 -13.920   2.292
  112   2H2*    C  10          2H2*        C  10  -0.693 -14.139   3.985
  113   1H5*    C  11          1H5*        C  11   0.612 -12.381   6.654
  114   2H5*    C  11          2H5*        C  11   1.539 -13.771   7.261
  115    H4*    C  11           H4*        C  11   0.844 -13.024   9.249
  116    H3*    C  11           H3*        C  11  -0.657 -15.158   8.627
  117    H1*    C  11           H1*        C  11  -2.664 -11.725   9.420
  118   1H4     C  11          1H4         C  11  -5.208  -9.519   4.065
  119   2H4     C  11          2H4         C  11  -4.355 -10.698   3.094
  120    H5     C  11           H5         C  11  -2.838 -12.333   4.039
  121    H6     C  11           H6         C  11  -1.816 -13.149   6.097
  122   1H2*    C  11          1H2*        C  11  -2.660 -14.240   7.830
  123   2H2*    C  11          2H2*        C  11  -3.016 -13.987   9.534
  124   1H5*    A  12          1H5*        A  12  -1.913 -12.837  11.746
  125   2H5*    A  12          2H5*        A  12  -2.264 -13.332  13.415
  126    H4*    A  12           H4*        A  12  -3.864 -11.737  12.990
  127    H3*    A  12           H3*        A  12  -4.851 -14.334  13.294
  128    H1*    A  12           H1*        A  12  -6.153 -11.558  11.040
  129    H8     A  12           H8         A  12  -4.592 -14.352   8.825
  130   1H6     A  12          1H6         A  12  -7.759 -11.680   4.209
  131   2H6     A  12          2H6         A  12  -6.655 -12.973   4.627
  132    H2     A  12           H2         A  12  -8.625  -9.433   7.987
  133   1H2*    A  12          1H2*        A  12  -5.701 -14.590  11.088
  134   2H2*    A  12          2H2*        A  12  -7.043 -13.693  11.786
  135   1H5*    C  13          1H5*        C  13  -7.142 -10.381  13.571
  136   2H5*    C  13          2H5*        C  13  -7.755 -10.459  15.236
  137    H4*    C  13           H4*        C  13  -8.986  -8.768  14.210
  138    H3*    C  13           H3*        C  13 -10.412 -10.769  15.271
  139    H1*    C  13           H1*        C  13 -11.181  -9.701  11.557
  140   1H4     C  13          1H4         C  13  -9.756 -13.879   7.029
  141   2H4     C  13          2H4         C  13  -8.686 -14.774   8.086
  142    H5     C  13           H5         C  13  -8.280 -14.136  10.391
  143    H6     C  13           H6         C  13  -8.828 -12.526  12.139
  144   1H2*    C  13          1H2*        C  13 -10.754 -12.121  13.337
  145   2H2*    C  13          2H2*        C  13 -12.161 -11.074  13.208
  146   1H5*    A  14          1H5*        A  14 -12.790  -7.533  12.859
  147   2H5*    A  14          2H5*        A  14 -13.812  -6.847  14.139
  148    H4*    A  14           H4*        A  14 -14.958  -6.387  12.183
  149    H3*    A  14           H3*        A  14 -16.307  -7.877  13.962
  150    H1*    A  14           H1*        A  14 -16.221  -8.972  10.228
  151    H8     A  14           H8         A  14 -13.859 -11.060  12.497
  152   1H6     A  14          1H6         A  14 -13.157 -14.683   7.523
  153   2H6     A  14          2H6         A  14 -12.735 -14.455   9.206
  154    H2     A  14           H2         A  14 -15.817 -11.252   6.387
  155   1H2*    A  14          1H2*        A  14 -15.854 -10.046  13.056
  156   2H2*    A  14          2H2*        A  14 -17.349  -9.662  12.213
  157   1H5*    G  15          1H5*        G  15 -17.216  -8.101   9.273
  158   2H5*    G  15          2H5*        G  15 -17.737  -6.544   9.948
  159    H4*    G  15           H4*        G  15 -18.749  -6.316   7.978
  160    H3*    G  15           H3*        G  15 -20.661  -6.974   9.720
  161    H1*    G  15           H1*        G  15 -20.190  -9.605   6.621
  162    H8     G  15           H8         G  15 -19.130 -10.071  10.289
  163    H1     G  15           H1         G  15 -17.335 -14.750   6.283
  164   1H2     G  15          1H2         G  15 -17.837 -14.206   4.207
  165   2H2     G  15          2H2         G  15 -18.624 -12.697   3.802
  166    H3T    G  15           H3T        G  15 -22.103  -6.660   7.834
  167   1H2*    G  15          1H2*        G  15 -21.006  -9.268   9.429
  168   2H2*    G  15          2H2*        G  15 -21.854  -8.804   7.960
  169   1H5*    C  16          1H5*        C  16 -17.041 -21.491   4.293
  170   2H5*    C  16          2H5*        C  16 -16.481 -22.510   2.955
  171    H4*    C  16           H4*        C  16 -17.363 -20.808   1.769
  172    H3*    C  16           H3*        C  16 -14.723 -20.771   1.498
  173    H1*    C  16           H1*        C  16 -16.429 -17.416   2.679
  174   1H4     C  16          1H4         C  16 -15.768 -15.792   8.757
  175   2H4     C  16          2H4         C  16 -14.878 -17.253   9.121
  176    H5     C  16           H5         C  16 -14.444 -18.973   7.472
  177    H6     C  16           H6         C  16 -14.773 -19.633   5.147
  178    H5T    C  16           H5T        C  16 -14.408 -21.587   3.216
  179   1H2*    C  16          1H2*        C  16 -14.140 -19.306   3.297
  180   2H2*    C  16          2H2*        C  16 -14.291 -18.139   1.991
  181   1H5*    T  17          1H5*        T  17 -16.927 -16.834   1.167
  182   2H5*    T  17          2H5*        T  17 -17.153 -17.077  -0.577
  183    H4*    T  17           H4*        T  17 -17.594 -14.888  -0.534
  184    H3*    T  17           H3*        T  17 -15.137 -15.171  -1.568
  185   1H2*    T  17          1H2*        T  17 -13.749 -14.746   0.295
  186   2H2*    T  17          2H2*        T  17 -14.035 -13.073  -0.163
  187    H1*    T  17           H1*        T  17 -15.545 -12.694   1.560
  188    H3     T  17           H3         T  17 -14.380 -13.616   5.788
  189   1H5M    T  17          1H5M        T  17 -13.030 -18.002   3.950
  190   2H5M    T  17          2H5M        T  17 -11.585 -17.015   4.273
  191   3H5M    T  17          3H5M        T  17 -12.111 -17.299   2.597
  192    H6     T  17           H6         T  17 -13.802 -15.915   1.651
  193   1H5*    G  18          1H5*        G  18 -16.774 -11.360  -0.389
  194   2H5*    G  18          2H5*        G  18 -16.743  -9.970  -1.494
  195    H4*    G  18           H4*        G  18 -16.641  -9.053   0.643
  196    H3*    G  18           H3*        G  18 -14.390  -8.693  -1.018
  197    H1*    G  18           H1*        G  18 -14.558  -9.107   2.809
  198    H8     G  18           H8         G  18 -12.854 -12.155   1.108
  199    H1     G  18           H1         G  18 -11.614 -11.338   7.356
  200   1H2     G  18          1H2         G  18 -12.641  -9.534   8.099
  201   2H2     G  18          2H2         G  18 -13.637  -8.537   7.062
  202   1H2*    G  18          1H2*        G  18 -12.780  -9.686   0.389
  203   2H2*    G  18          2H2*        G  18 -12.944  -8.189   1.298
  204   1H5*    T  19          1H5*        T  19 -14.900  -7.338   2.811
  205   2H5*    T  19          2H5*        T  19 -15.719  -5.767   2.698
  206    H4*    T  19           H4*        T  19 -15.206  -5.734   4.889
  207    H3*    T  19           H3*        T  19 -13.654  -3.979   3.576
  208   1H2*    T  19          1H2*        T  19 -11.682  -5.302   3.312
  209   2H2*    T  19          2H2*        T  19 -11.337  -4.559   4.869
  210    H1*    T  19           H1*        T  19 -12.011  -6.469   6.105
  211    H3     T  19           H3         T  19  -9.033  -9.711   5.474
  212   1H5M    T  19          1H5M        T  19  -9.462  -8.983   0.764
  213   2H5M    T  19          2H5M        T  19 -10.718 -10.214   1.031
  214   3H5M    T  19          3H5M        T  19 -11.182  -8.536   0.660
  215    H6     T  19           H6         T  19 -11.913  -7.347   2.504
  216   1H5*    G  20          1H5*        G  20 -12.906  -4.023   7.699
  217   2H5*    G  20          2H5*        G  20 -13.102  -2.684   8.851
  218    H4*    G  20           H4*        G  20 -11.077  -3.305   9.534
  219    H3*    G  20           H3*        G  20 -10.742  -1.214   7.675
  220    H1*    G  20           H1*        G  20  -8.562  -4.247   8.372
  221    H8     G  20           H8         G  20  -9.661  -4.186   4.654
  222    H1     G  20           H1         G  20  -5.662  -8.916   6.355
  223   1H2     G  20          1H2         G  20  -5.301  -8.849   8.527
  224   2H2     G  20          2H2         G  20  -6.051  -7.651   9.559
  225   1H2*    G  20          1H2*        G  20  -9.507  -2.445   6.078
  226   2H2*    G  20          2H2*        G  20  -8.192  -2.148   7.208
  227   1H5*    G  21          1H5*        G  21  -7.844  -4.376   9.533
  228   2H5*    G  21          2H5*        G  21  -7.856  -3.211  10.875
  229    H4*    G  21           H4*        G  21  -6.032  -4.422  11.443
  230    H3*    G  21           H3*        G  21  -5.307  -1.962  10.622
  231    H1*    G  21           H1*        G  21  -3.425  -5.079   9.359
  232    H8     G  21           H8         G  21  -5.656  -3.517   6.609
  233    H1     G  21           H1         G  21  -2.023  -8.490   4.797
  234   1H2     G  21          1H2         G  21  -0.952  -9.319   6.535
  235   2H2     G  21          2H2         G  21  -1.129  -8.655   8.144
  236   1H2*    G  21          1H2*        G  21  -4.737  -2.510   8.354
  237   2H2*    G  21          2H2*        G  21  -3.175  -2.697   9.139
  238   1H5*    C  22          1H5*        C  22  -2.203  -4.761  12.549
  239   2H5*    C  22          2H5*        C  22  -1.301  -3.848  13.775
  240    H4*    C  22           H4*        C  22   0.100  -5.597  13.119
  241    H3*    C  22           H3*        C  22   1.041  -3.065  12.847
  242    H1*    C  22           H1*        C  22   1.489  -5.703   9.982
  243   1H4     C  22          1H4         C  22  -1.354  -4.502   4.451
  244   2H4     C  22          2H4         C  22  -2.358  -3.259   5.159
  245    H5     C  22           H5         C  22  -2.266  -2.671   7.502
  246    H6     C  22           H6         C  22  -1.194  -3.151   9.639
  247   1H2*    C  22          1H2*        C  22   0.814  -2.786  10.502
  248   2H2*    C  22          2H2*        C  22   2.382  -3.582  10.518
  249   1H5*    C  23          1H5*        C  23   2.545  -6.570  10.362
  250   2H5*    C  23          2H5*        C  23   3.283  -6.929  11.938
  251    H4*    C  23           H4*        C  23   4.412  -8.436  10.706
  252    H3*    C  23           H3*        C  23   6.098  -6.505  11.361
  253    H1*    C  23           H1*        C  23   5.634  -7.066   7.388
  254   1H4     C  23          1H4         C  23   2.018  -2.539   4.837
  255   2H4     C  23          2H4         C  23   1.737  -1.804   6.397
  256    H5     C  23           H5         C  23   2.594  -2.718   8.458
  257    H6     C  23           H6         C  23   3.899  -4.520   9.451
  258   1H2*    C  23          1H2*        C  23   5.923  -5.012   9.540
  259   2H2*    C  23          2H2*        C  23   7.134  -6.080   8.844
  260   1H5*    C  24          1H5*        C  24   6.268  -9.451   7.246
  261   2H5*    C  24          2H5*        C  24   7.714 -10.193   7.965
  262    H4*    C  24           H4*        C  24   7.798 -10.471   5.596
  263    H3*    C  24           H3*        C  24   9.955  -9.588   6.880
  264    H1*    C  24           H1*        C  24   8.670  -7.435   3.840
  265   1H4     C  24          1H4         C  24   5.806  -1.939   5.161
  266   2H4     C  24          2H4         C  24   6.107  -2.137   6.874
  267    H5     C  24           H5         C  24   7.184  -4.086   7.806
  268    H6     C  24           H6         C  24   8.151  -6.266   7.299
  269   1H2*    C  24          1H2*        C  24   9.604  -7.230   6.718
  270   2H2*    C  24          2H2*        C  24  10.553  -7.495   5.263
  271   1H5*    T  25          1H5*        T  25   9.316  -9.285   2.290
  272   2H5*    T  25          2H5*        T  25  10.723 -10.167   1.661
  273    H4*    T  25           H4*        T  25   9.934  -8.815  -0.089
  274    H3*    T  25           H3*        T  25  12.540  -8.522   0.718
  275   1H2*    T  25          1H2*        T  25  12.334  -6.414   1.810
  276   2H2*    T  25          2H2*        T  25  12.592  -5.856   0.163
  277    H1*    T  25           H1*        T  25  10.237  -5.592  -0.260
  278    H3     T  25           H3         T  25   8.971  -1.867   1.833
  279   1H5M    T  25          1H5M        T  25  10.308  -3.318   5.945
  280   2H5M    T  25          2H5M        T  25  10.045  -5.072   5.798
  281   3H5M    T  25          3H5M        T  25  11.663  -4.386   5.511
  282    H6     T  25           H6         T  25  10.956  -5.930   3.364
  283   1H5*    G  26          1H5*        G  26  11.142  -6.573  -2.656
  284   2H5*    G  26          2H5*        G  26  11.633  -6.842  -4.341
  285    H4*    G  26           H4*        G  26  11.263  -4.642  -4.500
  286    H3*    G  26           H3*        G  26  14.020  -5.063  -4.097
  287    H1*    G  26           H1*        G  26  11.785  -2.195  -2.816
  288    H8     G  26           H8         G  26  13.018  -4.474   0.076
  289    H1     G  26           H1         G  26  11.179   1.448   1.734
  290   1H2     G  26          1H2         G  26  10.539   2.569  -0.054
  291   2H2     G  26          2H2         G  26  10.571   1.865  -1.656
  292   1H2*    G  26          1H2*        G  26  14.256  -3.844  -2.098
  293   2H2*    G  26          2H2*        G  26  14.136  -2.452  -3.166
  294   1H5*    A  27          1H5*        A  27  12.158  -1.665  -5.844
  295   2H5*    A  27          2H5*        A  27  12.508  -1.317  -7.550
  296    H4*    A  27           H4*        A  27  11.748   0.709  -6.825
  297    H3*    A  27           H3*        A  27  14.345   0.785  -7.515
  298    H1*    A  27           H1*        A  27  13.178   2.407  -4.215
  299    H8     A  27           H8         A  27  14.781  -1.075  -3.574
  300   1H6     A  27          1H6         A  27  15.116   0.738   2.325
  301   2H6     A  27          2H6         A  27  15.458  -0.550   1.189
  302    H2     A  27           H2         A  27  13.161   4.027  -0.032
  303   1H2*    A  27          1H2*        A  27  15.288   0.496  -5.325
  304   2H2*    A  27          2H2*        A  27  15.243   2.249  -5.437
  305   1H5*    G  28          1H5*        G  28  12.857   3.651  -4.100
  306   2H5*    G  28          2H5*        G  28  12.197   4.401  -5.570
  307    H4*    G  28           H4*        G  28  11.994   6.192  -4.257
  308    H3*    G  28           H3*        G  28  14.134   6.595  -5.808
  309    H1*    G  28           H1*        G  28  14.621   6.990  -1.876
  310    H8     G  28           H8         G  28  15.810   3.718  -3.579
  311    H1     G  28           H1         G  28  17.480   4.474   2.575
  312   1H2     G  28          1H2         G  28  16.635   6.353   3.363
  313   2H2     G  28          2H2         G  28  15.649   7.415   2.382
  314   1H2*    G  28          1H2*        G  28  15.901   5.917  -4.386
  315   2H2*    G  28          2H2*        G  28  15.754   7.576  -3.824
  316   1H5*    C  29          1H5*        C  29  13.706   9.077  -2.508
  317   2H5*    C  29          2H5*        C  29  13.756  10.850  -2.546
  318    H4*    C  29           H4*        C  29  14.817  10.235  -0.566
  319    H3*    C  29           H3*        C  29  16.389  11.545  -2.510
  320    H1*    C  29           H1*        C  29  17.366   8.893   0.074
  321   1H4     C  29          1H4         C  29  20.574   3.699  -1.594
  322   2H4     C  29          2H4         C  29  20.036   3.812  -3.256
  323    H5     C  29           H5         C  29  18.630   5.613  -4.063
  324    H6     C  29           H6         C  29  17.434   7.644  -3.435
  325   1H2*    C  29          1H2*        C  29  18.038   9.865  -2.751
  326   2H2*    C  29          2H2*        C  29  18.602  10.506  -1.214
  327   1H5*    C  30          1H5*        C  30  16.724  11.954   2.008
  328   2H5*    C  30          2H5*        C  30  16.904  13.686   2.360
  329    H4*    C  30           H4*        C  30  17.639  12.471   4.254
  330    H3*    C  30           H3*        C  30  19.226  14.373   3.229
  331    H1*    C  30           H1*        C  30  20.783  10.789   3.885
  332   1H4     C  30          1H4         C  30  22.237   7.416  -1.264
  333   2H4     C  30          2H4         C  30  21.523   8.604  -2.331
  334    H5     C  30           H5         C  30  20.446  10.615  -1.524
  335    H6     C  30           H6         C  30  19.823  11.884   0.465
  336    H3T    C  30           H3T        C  30  19.850  12.631   5.388
  337   1H2*    C  30          1H2*        C  30  20.708  13.079   1.910
  338   2H2*    C  30          2H2*        C  30  21.558  12.958   3.443
  339   1H    ASP  10          1H        ASP  10  -4.192  13.255   8.377
  340    HA   ASP  10           HA       ASP  10  -6.091  13.532  10.617
  341   1HB   ASP  10          1HB       ASP  10  -4.258  15.260  10.538
  342   2HB   ASP  10          2HB       ASP  10  -4.914  15.795   8.992
  343    H    GLU  11           H        GLU  11  -5.699  13.067   7.344
  344    HA   GLU  11           HA       GLU  11  -8.310  14.206   6.654
  345   1HB   GLU  11          1HB       GLU  11  -6.141  13.135   4.843
  346   2HB   GLU  11          2HB       GLU  11  -7.610  13.958   4.336
  347   1HG   GLU  11          1HG       GLU  11  -6.895  16.007   5.232
  348   2HG   GLU  11          2HG       GLU  11  -5.557  15.248   6.094
  349    H    LEU  12           H        LEU  12  -9.871  12.923   5.628
  350    HA   LEU  12           HA       LEU  12  -9.581  10.071   6.128
  351   1HB   LEU  12          1HB       LEU  12 -11.981  11.827   5.659
  352   2HB   LEU  12          2HB       LEU  12 -12.082  10.075   5.691
  353    HG   LEU  12           HG       LEU  12 -11.065  10.194   8.005
  354   1HD1  LEU  12          1HD1      LEU  12 -11.745  13.100   7.694
  355   2HD1  LEU  12          2HD1      LEU  12 -10.155  12.392   8.000
  356   3HD1  LEU  12          3HD1      LEU  12 -11.414  12.302   9.233
  357   1HD2  LEU  12          1HD2      LEU  12 -13.210  10.709   9.070
  358   2HD2  LEU  12          2HD2      LEU  12 -13.409   9.695   7.641
  359   3HD2  LEU  12          3HD2      LEU  12 -13.778  11.417   7.557
  360    H    CYS  13           H        CYS  13  -9.763   8.565   4.594
  361    HA   CYS  13           HA       CYS  13  -9.023   9.071   1.968
  362   1HB   CYS  13          1HB       CYS  13  -8.782   6.896   3.068
  363   2HB   CYS  13          2HB       CYS  13 -10.529   6.707   3.109
  364    HG   CYS  13           HG       CYS  13  -9.974   5.024   1.136
  365    HA   PRO  14           HA       PRO  14 -12.826  10.775   0.379
  366   1HB   PRO  14          1HB       PRO  14 -12.064  10.872  -2.236
  367   2HB   PRO  14          2HB       PRO  14 -11.535  12.044  -1.025
  368   1HG   PRO  14          1HG       PRO  14 -10.098   9.646  -2.095
  369   2HG   PRO  14          2HG       PRO  14  -9.473  11.275  -1.773
  370   1HD   PRO  14          1HD       PRO  14  -9.062   9.224  -0.074
  371   2HD   PRO  14          2HD       PRO  14  -9.279  10.891   0.496
  372    H    VAL  15           H        VAL  15 -11.520   7.716  -0.359
  373    HA   VAL  15           HA       VAL  15 -13.622   6.889  -2.148
  374    HB   VAL  15           HB       VAL  15 -11.614   5.200  -0.640
  375   1HG1  VAL  15          1HG1      VAL  15 -13.374   4.526  -2.992
  376   2HG1  VAL  15          2HG1      VAL  15 -13.531   3.898  -1.350
  377   3HG1  VAL  15          3HG1      VAL  15 -12.117   3.485  -2.321
  378   1HG2  VAL  15          1HG2      VAL  15 -10.505   6.782  -2.112
  379   2HG2  VAL  15          2HG2      VAL  15 -11.520   6.262  -3.457
  380   3HG2  VAL  15          3HG2      VAL  15 -10.362   5.140  -2.741
  381    H    CYS  16           H        CYS  16 -12.981   6.819   1.289
  382    HA   CYS  16           HA       CYS  16 -15.619   5.646   1.730
  383   1HB   CYS  16          1HB       CYS  16 -14.524   4.242   3.589
  384   2HB   CYS  16          2HB       CYS  16 -14.324   3.706   1.923
  385    HG   CYS  16           HG       CYS  16 -12.014   4.090   4.100
  386    H    GLY  17           H        GLY  17 -13.060   6.142   4.119
  387   1HA   GLY  17          1HA       GLY  17 -13.466   8.669   4.999
  388   2HA   GLY  17          2HA       GLY  17 -14.848   7.807   5.658
  389    H    ASP  18           H        ASP  18 -11.485   6.734   5.269
  390    HA   ASP  18           HA       ASP  18 -11.291   6.555   8.211
  391   1HB   ASP  18          1HB       ASP  18  -9.576   4.976   6.289
  392   2HB   ASP  18          2HB       ASP  18  -9.822   4.696   8.008
  393    H    LYS  19           H        LYS  19  -9.292   7.279   9.137
  394    HA   LYS  19           HA       LYS  19  -8.054   9.455   7.910
  395   1HB   LYS  19          1HB       LYS  19  -7.033   7.631  10.093
  396   2HB   LYS  19          2HB       LYS  19  -6.191   9.086   9.576
  397   1HG   LYS  19          1HG       LYS  19  -8.375  10.312  10.087
  398   2HG   LYS  19          2HG       LYS  19  -8.840   8.846  10.955
  399   1HD   LYS  19          1HD       LYS  19  -6.861   9.037  12.361
  400   2HD   LYS  19          2HD       LYS  19  -6.351  10.472  11.471
  401   1HE   LYS  19          1HE       LYS  19  -8.534  11.529  12.165
  402   2HE   LYS  19          2HE       LYS  19  -8.761  10.155  13.246
  403   1HZ   LYS  19          1HZ       LYS  19  -6.607  10.742  14.285
  404   2HZ   LYS  19          2HZ       LYS  19  -7.784  11.949  14.464
  405   3HZ   LYS  19          3HZ       LYS  19  -6.549  12.135  13.325
  406    H    VAL  20           H        VAL  20  -6.551   9.669   6.441
  407    HA   VAL  20           HA       VAL  20  -5.910   7.491   4.787
  408    HB   VAL  20           HB       VAL  20  -4.535   9.092   3.521
  409   1HG1  VAL  20          1HG1      VAL  20  -7.200  10.155   4.448
  410   2HG1  VAL  20          2HG1      VAL  20  -6.928   9.001   3.142
  411   3HG1  VAL  20          3HG1      VAL  20  -6.352  10.661   2.988
  412   1HG2  VAL  20          1HG2      VAL  20  -3.572  10.361   5.357
  413   2HG2  VAL  20          2HG2      VAL  20  -5.167  10.975   5.795
  414   3HG2  VAL  20          3HG2      VAL  20  -4.431  11.442   4.259
  415    H    SER  21           H        SER  21  -3.968   6.517   4.285
  416    HA   SER  21           HA       SER  21  -2.080   6.412   6.515
  417   1HB   SER  21          1HB       SER  21  -2.351   4.543   4.146
  418   2HB   SER  21          2HB       SER  21  -1.417   4.258   5.616
  419    HG   SER  21           HG       SER  21  -3.439   4.369   6.768
  420    H    GLY  22           H        GLY  22  -2.242   8.459   4.258
  421   1HA   GLY  22          1HA       GLY  22  -0.129   9.719   3.934
  422   2HA   GLY  22          2HA       GLY  22   0.572   8.197   3.404
  423    H    TYR  23           H        TYR  23   0.976  10.078   1.693
  424    HA   TYR  23           HA       TYR  23  -1.187  10.162  -0.264
  425   1HB   TYR  23          1HB       TYR  23   0.077  12.229   0.261
  426   2HB   TYR  23          2HB       TYR  23   1.550  11.462  -0.318
  427    HD1  TYR  23           HD1      TYR  23  -1.927  12.119  -1.533
  428    HD2  TYR  23           HD2      TYR  23   2.221  12.004  -2.451
  429    HE1  TYR  23           HE1      TYR  23  -2.414  12.927  -3.803
  430    HE2  TYR  23           HE2      TYR  23   1.747  12.809  -4.727
  431    HH   TYR  23           HH       TYR  23  -1.218  14.123  -5.631
  432    H    HIS  24           H        HIS  24  -1.365   8.429  -1.507
  433    HA   HIS  24           HA       HIS  24   0.885   7.525  -3.063
  434   1HB   HIS  24          1HB       HIS  24   0.575   5.116  -2.422
  435   2HB   HIS  24          2HB       HIS  24   1.314   6.118  -1.180
  436    HD1  HIS  24           HD1      HIS  24  -1.164   3.592  -1.598
  437    HD2  HIS  24           HD2      HIS  24  -0.802   6.954   0.808
  438    HE1  HIS  24           HE1      HIS  24  -2.727   3.210   0.332
  439    HE2  HIS  24           HE2      HIS  24  -2.669   5.371   1.627
  440    H    TYR  25           H        TYR  25   0.300   6.250  -4.848
  441    HA   TYR  25           HA       TYR  25  -1.005   5.637  -6.601
  442   1HB   TYR  25          1HB       TYR  25  -3.159   5.563  -4.488
  443   2HB   TYR  25          2HB       TYR  25  -3.496   5.226  -6.180
  444    HD1  TYR  25           HD1      TYR  25  -3.030   3.106  -7.112
  445    HD2  TYR  25           HD2      TYR  25  -1.560   4.067  -3.238
  446    HE1  TYR  25           HE1      TYR  25  -2.412   0.751  -6.770
  447    HE2  TYR  25           HE2      TYR  25  -0.933   1.715  -2.888
  448    HH   TYR  25           HH       TYR  25  -0.789  -0.552  -5.363
  449    H    GLY  26           H        GLY  26  -0.692   8.448  -5.439
  450   1HA   GLY  26          1HA       GLY  26  -1.040  10.505  -6.461
  451   2HA   GLY  26          2HA       GLY  26  -2.254   9.759  -7.491
  452    H    LEU  27           H        LEU  27  -2.576   9.157  -4.132
  453    HA   LEU  27           HA       LEU  27  -4.303  11.420  -3.628
  454   1HB   LEU  27          1HB       LEU  27  -5.301   8.685  -4.197
  455   2HB   LEU  27          2HB       LEU  27  -6.077   9.577  -2.905
  456    HG   LEU  27           HG       LEU  27  -5.806  10.596  -5.726
  457   1HD1  LEU  27          1HD1      LEU  27  -8.170  10.034  -5.942
  458   2HD1  LEU  27          2HD1      LEU  27  -8.147   9.308  -4.334
  459   3HD1  LEU  27          3HD1      LEU  27  -7.197   8.596  -5.638
  460   1HD2  LEU  27          1HD2      LEU  27  -7.407  11.530  -3.350
  461   2HD2  LEU  27          2HD2      LEU  27  -7.508  12.204  -4.979
  462   3HD2  LEU  27          3HD2      LEU  27  -6.011  12.344  -4.057
  463    H    LEU  28           H        LEU  28  -5.076  11.516  -1.447
  464    HA   LEU  28           HA       LEU  28  -3.475  10.120   0.503
  465   1HB   LEU  28          1HB       LEU  28  -5.832  11.995   0.796
  466   2HB   LEU  28          2HB       LEU  28  -5.003  11.265   2.153
  467    HG   LEU  28           HG       LEU  28  -4.207  13.486   1.955
  468   1HD1  LEU  28          1HD1      LEU  28  -2.161  11.621   0.774
  469   2HD1  LEU  28          2HD1      LEU  28  -2.507  11.845   2.489
  470   3HD1  LEU  28          3HD1      LEU  28  -1.823  13.170   1.547
  471   1HD2  LEU  28          1HD2      LEU  28  -4.890  13.958  -0.321
  472   2HD2  LEU  28          2HD2      LEU  28  -3.628  12.895  -0.941
  473   3HD2  LEU  28          3HD2      LEU  28  -3.193  14.376  -0.086
  474    H    THR  29           H        THR  29  -3.903   8.007   0.681
  475    HA   THR  29           HA       THR  29  -6.721   7.182   0.823
  476    HB   THR  29           HB       THR  29  -5.963   5.074  -0.412
  477    HG1  THR  29           HG1      THR  29  -3.983   6.621  -1.634
  478   1HG2  THR  29          1HG2      THR  29  -6.228   6.135  -2.618
  479   2HG2  THR  29          2HG2      THR  29  -5.985   7.719  -1.880
  480   3HG2  THR  29          3HG2      THR  29  -7.397   6.753  -1.452
  481    H    CYS  30           H        CYS  30  -7.167   5.366   2.096
  482    HA   CYS  30           HA       CYS  30  -5.229   4.946   4.212
  483   1HB   CYS  30          1HB       CYS  30  -7.111   3.707   5.305
  484   2HB   CYS  30          2HB       CYS  30  -7.490   5.381   4.913
  485    HG   CYS  30           HG       CYS  30  -9.740   3.725   4.478
  486    H    GLU  31           H        GLU  31  -4.799   2.774   5.017
  487    HA   GLU  31           HA       GLU  31  -3.761   1.062   3.082
  488   1HB   GLU  31          1HB       GLU  31  -3.108   1.187   5.503
  489   2HB   GLU  31          2HB       GLU  31  -4.574   0.300   5.892
  490   1HG   GLU  31          1HG       GLU  31  -2.700  -1.200   5.866
  491   2HG   GLU  31          2HG       GLU  31  -3.777  -1.578   4.523
  492    H    SER  32           H        SER  32  -6.908   1.134   4.604
  493    HA   SER  32           HA       SER  32  -7.867  -1.401   3.989
  494   1HB   SER  32          1HB       SER  32  -9.562   1.089   3.857
  495   2HB   SER  32          2HB       SER  32 -10.020  -0.519   4.420
  496    HG   SER  32           HG       SER  32  -8.400  -0.145   6.135
  497    H    CYS  33           H        CYS  33  -8.044   1.596   2.069
  498    HA   CYS  33           HA       CYS  33  -9.331   0.331  -0.136
  499   1HB   CYS  33          1HB       CYS  33  -7.931   2.994   0.105
  500   2HB   CYS  33          2HB       CYS  33  -8.773   2.458  -1.348
  501    HG   CYS  33           HG       CYS  33 -10.940   3.595  -0.605
  502    H    LYS  34           H        LYS  34  -5.973   1.168   0.631
  503    HA   LYS  34           HA       LYS  34  -4.847   0.493  -1.845
  504   1HB   LYS  34          1HB       LYS  34  -3.679   1.588   0.140
  505   2HB   LYS  34          2HB       LYS  34  -3.506  -0.030   0.807
  506   1HG   LYS  34          1HG       LYS  34  -2.314  -0.674  -1.304
  507   2HG   LYS  34          2HG       LYS  34  -2.333   1.031  -1.753
  508   1HD   LYS  34          1HD       LYS  34  -0.244   0.760  -0.762
  509   2HD   LYS  34          2HD       LYS  34  -1.229   1.421   0.546
  510   1HE   LYS  34          1HE       LYS  34  -1.641  -0.960   1.271
  511   2HE   LYS  34          2HE       LYS  34  -0.399  -1.441   0.117
  512   1HZ   LYS  34          1HZ       LYS  34  -0.057   0.345   2.463
  513   2HZ   LYS  34          2HZ       LYS  34   1.153   0.041   1.314
  514   3HZ   LYS  34          3HZ       LYS  34   0.567  -1.216   2.281
  515    H    GLY  35           H        GLY  35  -5.540  -1.510   0.997
  516   1HA   GLY  35          1HA       GLY  35  -4.483  -3.928   0.040
  517   2HA   GLY  35          2HA       GLY  35  -5.756  -3.779   1.241
  518    H    PHE  36           H        PHE  36  -7.828  -2.720  -0.095
  519    HA   PHE  36           HA       PHE  36  -8.826  -4.936  -1.549
  520   1HB   PHE  36          1HB       PHE  36 -10.351  -3.519  -0.326
  521   2HB   PHE  36          2HB       PHE  36  -9.862  -2.106  -1.251
  522    HD1  PHE  36           HD1      PHE  36 -11.566  -5.382  -1.526
  523    HD2  PHE  36           HD2      PHE  36 -10.949  -1.536  -3.240
  524    HE1  PHE  36           HE1      PHE  36 -13.383  -5.808  -3.128
  525    HE2  PHE  36           HE2      PHE  36 -12.765  -1.955  -4.845
  526    HZ   PHE  36           HZ       PHE  36 -13.985  -4.093  -4.789
  527    H    PHE  37           H        PHE  37  -7.551  -1.796  -2.564
  528    HA   PHE  37           HA       PHE  37  -8.202  -1.924  -5.276
  529   1HB   PHE  37          1HB       PHE  37  -7.192   0.027  -3.914
  530   2HB   PHE  37          2HB       PHE  37  -5.635  -0.712  -4.265
  531    HD1  PHE  37           HD1      PHE  37  -4.569  -0.344  -6.326
  532    HD2  PHE  37           HD2      PHE  37  -8.658   0.727  -5.830
  533    HE1  PHE  37           HE1      PHE  37  -4.521   0.836  -8.488
  534    HE2  PHE  37           HE2      PHE  37  -8.617   1.905  -7.987
  535    HZ   PHE  37           HZ       PHE  37  -6.552   1.962  -9.322
  536    H    LYS  38           H        LYS  38  -5.287  -3.015  -3.565
  537    HA   LYS  38           HA       LYS  38  -3.908  -4.087  -5.730
  538   1HB   LYS  38          1HB       LYS  38  -3.996  -4.961  -2.841
  539   2HB   LYS  38          2HB       LYS  38  -2.897  -5.659  -4.021
  540   1HG   LYS  38          1HG       LYS  38  -1.875  -3.475  -4.379
  541   2HG   LYS  38          2HG       LYS  38  -2.991  -2.759  -3.215
  542   1HD   LYS  38          1HD       LYS  38  -1.015  -4.951  -2.583
  543   2HD   LYS  38          2HD       LYS  38  -0.750  -3.237  -2.264
  544   1HE   LYS  38          1HE       LYS  38  -2.719  -3.216  -0.801
  545   2HE   LYS  38          2HE       LYS  38  -2.962  -4.934  -1.111
  546   1HZ   LYS  38          1HZ       LYS  38  -0.892  -5.432  -0.044
  547   2HZ   LYS  38          2HZ       LYS  38  -1.806  -4.466   1.004
  548   3HZ   LYS  38          3HZ       LYS  38  -0.522  -3.790   0.135
  549    H    ARG  39           H        ARG  39  -6.088  -5.799  -3.475
  550    HA   ARG  39           HA       ARG  39  -5.929  -8.281  -4.725
  551   1HB   ARG  39          1HB       ARG  39  -7.980  -7.039  -2.937
  552   2HB   ARG  39          2HB       ARG  39  -8.252  -8.634  -3.631
  553   1HG   ARG  39          1HG       ARG  39  -6.023  -9.294  -2.685
  554   2HG   ARG  39          2HG       ARG  39  -6.036  -7.772  -1.806
  555   1HD   ARG  39          1HD       ARG  39  -7.843  -8.409  -0.488
  556   2HD   ARG  39          2HD       ARG  39  -8.350  -9.663  -1.622
  557    HE   ARG  39           HE       ARG  39  -5.755 -10.067  -0.383
  558   1HH1  ARG  39          1HH1      ARG  39  -9.190 -10.748  -0.262
  559   2HH1  ARG  39          2HH1      ARG  39  -9.010 -12.190   0.689
  560   1HH2  ARG  39          1HH2      ARG  39  -5.507 -11.961   0.851
  561   2HH2  ARG  39          2HH2      ARG  39  -6.903 -12.871   1.347
  562    H    THR  40           H        THR  40  -7.873  -5.517  -5.552
  563    HA   THR  40           HA       THR  40  -9.606  -7.018  -7.297
  564    HB   THR  40           HB       THR  40  -9.278  -4.026  -7.032
  565    HG1  THR  40           HG1      THR  40  -9.986  -4.781  -5.076
  566   1HG2  THR  40          1HG2      THR  40 -11.519  -3.934  -8.026
  567   2HG2  THR  40          2HG2      THR  40 -11.510  -5.688  -8.212
  568   3HG2  THR  40          3HG2      THR  40 -10.365  -4.699  -9.119
  569    H    VAL  41           H        VAL  41  -7.101  -4.504  -7.787
  570    HA   VAL  41           HA       VAL  41  -7.314  -4.604 -10.621
  571    HB   VAL  41           HB       VAL  41  -5.006  -3.516  -9.001
  572   1HG1  VAL  41          1HG1      VAL  41  -5.957  -2.811 -11.774
  573   2HG1  VAL  41          2HG1      VAL  41  -4.551  -3.806 -11.401
  574   3HG1  VAL  41          3HG1      VAL  41  -4.579  -2.108 -10.923
  575   1HG2  VAL  41          1HG2      VAL  41  -6.137  -1.361  -9.120
  576   2HG2  VAL  41          2HG2      VAL  41  -7.122  -2.546  -8.263
  577   3HG2  VAL  41          3HG2      VAL  41  -7.510  -2.117  -9.930
  578    H    GLN  42           H        GLN  42  -5.164  -6.168  -8.295
  579    HA   GLN  42           HA       GLN  42  -3.228  -7.080 -10.122
  580   1HB   GLN  42          1HB       GLN  42  -4.097  -8.156  -7.444
  581   2HB   GLN  42          2HB       GLN  42  -2.746  -8.821  -8.351
  582   1HG   GLN  42          1HG       GLN  42  -1.550  -6.755  -8.208
  583   2HG   GLN  42          2HG       GLN  42  -2.943  -5.948  -7.487
  584   1HE2  GLN  42          1HE2      GLN  42  -0.198  -6.318  -6.495
  585   2HE2  GLN  42          2HE2      GLN  42  -0.363  -7.105  -4.960
  586    H    ASN  43           H        ASN  43  -6.447  -8.173  -9.541
  587    HA   ASN  43           HA       ASN  43  -5.867 -10.623 -11.068
  588   1HB   ASN  43          1HB       ASN  43  -8.128 -10.077  -9.131
  589   2HB   ASN  43          2HB       ASN  43  -7.956 -11.545 -10.086
  590   1HD2  ASN  43          1HD2      ASN  43  -6.873  -9.784  -7.322
  591   2HD2  ASN  43          2HD2      ASN  43  -5.840 -11.017  -6.685
  592    H    ASN  44           H        ASN  44  -6.936  -7.600 -11.435
  593    HA   ASN  44           HA       ASN  44  -8.126  -6.475 -13.011
  594   1HB   ASN  44          1HB       ASN  44  -7.906  -9.146 -14.406
  595   2HB   ASN  44          2HB       ASN  44  -8.683  -7.756 -15.144
  596   1HD2  ASN  44          1HD2      ASN  44  -5.849  -7.522 -13.095
  597   2HD2  ASN  44          2HD2      ASN  44  -4.747  -7.068 -14.349
  598    H    LYS  45           H        LYS  45  -9.482  -7.558 -10.831
  599    HA   LYS  45           HA       LYS  45 -11.761  -9.067 -11.642
  600   1HB   LYS  45          1HB       LYS  45 -10.977  -7.715  -9.080
  601   2HB   LYS  45          2HB       LYS  45 -12.516  -8.528  -9.269
  602   1HG   LYS  45          1HG       LYS  45 -11.199 -10.580  -9.935
  603   2HG   LYS  45          2HG       LYS  45  -9.771  -9.718  -9.358
  604   1HD   LYS  45          1HD       LYS  45 -10.750  -9.508  -7.155
  605   2HD   LYS  45          2HD       LYS  45 -12.242 -10.261  -7.718
  606   1HE   LYS  45          1HE       LYS  45 -10.908 -12.295  -8.276
  607   2HE   LYS  45          2HE       LYS  45  -9.524 -11.534  -7.492
  608   1HZ   LYS  45          1HZ       LYS  45 -12.117 -12.211  -6.209
  609   2HZ   LYS  45          2HZ       LYS  45 -10.836 -11.411  -5.441
  610   3HZ   LYS  45          3HZ       LYS  45 -10.638 -13.014  -5.973
  611    H    HIS  46           H        HIS  46 -13.478  -8.320 -12.624
  612    HA   HIS  46           HA       HIS  46 -14.389  -5.587 -12.002
  613   1HB   HIS  46          1HB       HIS  46 -14.902  -7.354 -14.399
  614   2HB   HIS  46          2HB       HIS  46 -15.821  -5.903 -14.077
  615    HD1  HIS  46           HD1      HIS  46 -14.985  -3.893 -15.242
  616    HD2  HIS  46           HD2      HIS  46 -12.023  -6.687 -14.515
  617    HE1  HIS  46           HE1      HIS  46 -12.906  -2.957 -16.311
  618    HE2  HIS  46           HE2      HIS  46 -11.175  -4.777 -16.048
  619    H    TYR  47           H        TYR  47 -15.590  -5.878 -10.206
  620    HA   TYR  47           HA       TYR  47 -17.272  -8.144  -9.787
  621   1HB   TYR  47          1HB       TYR  47 -17.322  -5.489  -8.338
  622   2HB   TYR  47          2HB       TYR  47 -17.983  -7.014  -7.762
  623    HD1  TYR  47           HD1      TYR  47 -15.032  -4.955  -8.068
  624    HD2  TYR  47           HD2      TYR  47 -16.429  -8.854  -7.104
  625    HE1  TYR  47           HE1      TYR  47 -12.896  -5.439  -6.957
  626    HE2  TYR  47           HE2      TYR  47 -14.295  -9.350  -5.992
  627    HH   TYR  47           HH       TYR  47 -11.907  -6.872  -5.413
  628    H    THR  48           H        THR  48 -19.650  -7.668  -9.098
  629    HA   THR  48           HA       THR  48 -20.882  -5.774 -10.986
  630    HB   THR  48           HB       THR  48 -21.897  -8.593 -10.572
  631    HG1  THR  48           HG1      THR  48 -20.257  -7.465 -12.608
  632   1HG2  THR  48          1HG2      THR  48 -22.618  -6.461 -12.589
  633   2HG2  THR  48          2HG2      THR  48 -23.607  -6.963 -11.217
  634   3HG2  THR  48          3HG2      THR  48 -23.285  -8.092 -12.531
  635    H    CYS  49           H        CYS  49 -22.445  -4.572 -10.070
  636    HA   CYS  49           HA       CYS  49 -23.296  -5.294  -7.361
  637   1HB   CYS  49          1HB       CYS  49 -22.324  -3.041  -7.733
  638   2HB   CYS  49          2HB       CYS  49 -23.637  -2.678  -8.845
  639    HG   CYS  49           HG       CYS  49 -23.581  -1.843  -5.839
  640    H    THR  50           H        THR  50 -25.622  -4.685  -6.838
  641    HA   THR  50           HA       THR  50 -27.248  -6.387  -8.426
  642    HB   THR  50           HB       THR  50 -29.054  -5.649  -6.800
  643    HG1  THR  50           HG1      THR  50 -28.516  -4.239  -5.208
  644   1HG2  THR  50          1HG2      THR  50 -27.706  -7.655  -6.423
  645   2HG2  THR  50          2HG2      THR  50 -28.044  -6.833  -4.900
  646   3HG2  THR  50          3HG2      THR  50 -26.456  -6.680  -5.651
  647    H    GLU  51           H        GLU  51 -27.749  -2.992  -7.506
  648    HA   GLU  51           HA       GLU  51 -29.769  -2.690  -9.562
  649   1HB   GLU  51          1HB       GLU  51 -30.054  -0.433  -8.511
  650   2HB   GLU  51          2HB       GLU  51 -30.264  -1.781  -7.403
  651   1HG   GLU  51          1HG       GLU  51 -27.993  -1.443  -6.560
  652   2HG   GLU  51          2HG       GLU  51 -27.795  -0.078  -7.659
  653    H    SER  52           H        SER  52 -28.962   0.302  -9.521
  654    HA   SER  52           HA       SER  52 -27.722   0.369 -12.051
  655   1HB   SER  52          1HB       SER  52 -27.887   2.645 -10.070
  656   2HB   SER  52          2HB       SER  52 -27.831   2.750 -11.830
  657    HG   SER  52           HG       SER  52 -29.935   2.864 -11.558
  658    H    GLN  53           H        GLN  53 -26.373  -0.360  -9.151
  659    HA   GLN  53           HA       GLN  53 -24.254  -0.815  -8.527
  660   1HB   GLN  53          1HB       GLN  53 -23.501   0.084 -11.312
  661   2HB   GLN  53          2HB       GLN  53 -22.460  -0.794 -10.199
  662   1HG   GLN  53          1HG       GLN  53 -24.163  -2.630 -10.206
  663   2HG   GLN  53          2HG       GLN  53 -24.984  -1.772 -11.507
  664   1HE2  GLN  53          1HE2      GLN  53 -24.036  -1.693 -13.539
  665   2HE2  GLN  53          2HE2      GLN  53 -22.727  -2.733 -13.994
  666    H    SER  54           H        SER  54 -25.449   2.094  -8.787
  667    HA   SER  54           HA       SER  54 -22.967   3.480  -8.061
  668   1HB   SER  54          1HB       SER  54 -25.622   4.697  -8.873
  669   2HB   SER  54          2HB       SER  54 -24.111   5.564  -8.592
  670    HG   SER  54           HG       SER  54 -24.173   3.491 -10.487
  671    H    CYS  55           H        CYS  55 -23.071   2.460  -5.998
  672    HA   CYS  55           HA       CYS  55 -25.265   3.319  -4.254
  673   1HB   CYS  55          1HB       CYS  55 -23.149   1.219  -3.746
  674   2HB   CYS  55          2HB       CYS  55 -24.588   1.520  -2.776
  675    HG   CYS  55           HG       CYS  55 -25.067  -0.827  -4.127
  676    H    LYS  56           H        LYS  56 -24.492   3.612  -1.891
  677    HA   LYS  56           HA       LYS  56 -22.460   5.679  -1.888
  678   1HB   LYS  56          1HB       LYS  56 -24.148   4.563   0.363
  679   2HB   LYS  56          2HB       LYS  56 -23.119   5.985   0.467
  680   1HG   LYS  56          1HG       LYS  56 -24.495   7.172  -1.095
  681   2HG   LYS  56          2HG       LYS  56 -25.456   5.725  -1.410
  682   1HD   LYS  56          1HD       LYS  56 -25.248   7.143   1.246
  683   2HD   LYS  56          2HD       LYS  56 -26.595   7.287   0.114
  684   1HE   LYS  56          1HE       LYS  56 -25.683   4.729   1.428
  685   2HE   LYS  56          2HE       LYS  56 -27.058   5.704   1.946
  686   1HZ   LYS  56          1HZ       LYS  56 -28.155   5.276  -0.126
  687   2HZ   LYS  56          2HZ       LYS  56 -27.682   3.792   0.542
  688   3HZ   LYS  56          3HZ       LYS  56 -26.801   4.460  -0.744
  689    H    ILE  57           H        ILE  57 -20.497   5.573  -0.811
  690    HA   ILE  57           HA       ILE  57 -19.656   2.833  -0.154
  691    HB   ILE  57           HB       ILE  57 -17.839   5.145  -0.831
  692   1HG1  ILE  57          1HG1      ILE  57 -19.284   4.677  -2.748
  693   2HG1  ILE  57          2HG1      ILE  57 -17.643   4.124  -3.072
  694   1HG2  ILE  57          1HG2      ILE  57 -17.379   2.163  -0.738
  695   2HG2  ILE  57          2HG2      ILE  57 -16.797   3.342   0.438
  696   3HG2  ILE  57          3HG2      ILE  57 -16.188   3.372  -1.217
  697   1HD1  ILE  57          1HD1      ILE  57 -18.322   1.835  -2.557
  698   2HD1  ILE  57          2HD1      ILE  57 -19.282   2.526  -3.865
  699   3HD1  ILE  57          3HD1      ILE  57 -19.964   2.396  -2.244
  700    H    ASP  58           H        ASP  58 -20.059   2.644   1.964
  701    HA   ASP  58           HA       ASP  58 -18.638   4.504   3.741
  702   1HB   ASP  58          1HB       ASP  58 -20.437   4.262   5.413
  703   2HB   ASP  58          2HB       ASP  58 -21.013   5.018   3.933
  704    H    LYS  59           H        LYS  59 -18.748   3.367   6.080
  705    HA   LYS  59           HA       LYS  59 -16.802   1.415   5.917
  706   1HB   LYS  59          1HB       LYS  59 -17.078   2.775   7.883
  707   2HB   LYS  59          2HB       LYS  59 -18.665   2.090   8.192
  708   1HG   LYS  59          1HG       LYS  59 -17.747   0.004   8.814
  709   2HG   LYS  59          2HG       LYS  59 -16.155   0.440   8.191
  710   1HD   LYS  59          1HD       LYS  59 -16.269   0.546  10.651
  711   2HD   LYS  59          2HD       LYS  59 -15.890   2.106   9.925
  712   1HE   LYS  59          1HE       LYS  59 -17.504   2.324  11.752
  713   2HE   LYS  59          2HE       LYS  59 -18.193   2.824  10.210
  714   1HZ   LYS  59          1HZ       LYS  59 -18.593   0.084  11.242
  715   2HZ   LYS  59          2HZ       LYS  59 -19.516   0.936  10.099
  716   3HZ   LYS  59          3HZ       LYS  59 -19.591   1.361  11.736
  717    H    THR  60           H        THR  60 -20.307   0.977   6.113
  718    HA   THR  60           HA       THR  60 -19.960  -1.898   6.372
  719    HB   THR  60           HB       THR  60 -22.532  -1.879   6.165
  720    HG1  THR  60           HG1      THR  60 -22.086   0.700   5.736
  721   1HG2  THR  60          1HG2      THR  60 -21.161  -0.594   8.524
  722   2HG2  THR  60          2HG2      THR  60 -21.349  -2.325   8.241
  723   3HG2  THR  60          3HG2      THR  60 -22.768  -1.320   8.543
  724    H    GLN  61           H        GLN  61 -21.290   0.382   3.957
  725    HA   GLN  61           HA       GLN  61 -22.139  -1.754   2.261
  726   1HB   GLN  61          1HB       GLN  61 -21.880   1.186   1.645
  727   2HB   GLN  61          2HB       GLN  61 -22.689   0.000   0.629
  728   1HG   GLN  61          1HG       GLN  61 -24.000  -0.429   2.916
  729   2HG   GLN  61          2HG       GLN  61 -23.567   1.265   3.144
  730   1HE2  GLN  61          1HE2      GLN  61 -25.645   2.017   2.968
  731   2HE2  GLN  61          2HE2      GLN  61 -26.532   1.997   1.475
  732    H    ARG  62           H        ARG  62 -19.117  -0.217   2.667
  733    HA   ARG  62           HA       ARG  62 -18.172  -0.546   0.001
  734   1HB   ARG  62          1HB       ARG  62 -15.942  -0.151   0.907
  735   2HB   ARG  62          2HB       ARG  62 -17.092   1.020   1.531
  736   1HG   ARG  62          1HG       ARG  62 -17.241  -0.325   3.616
  737   2HG   ARG  62          2HG       ARG  62 -15.957  -1.361   2.983
  738   1HD   ARG  62          1HD       ARG  62 -14.422   0.471   2.919
  739   2HD   ARG  62          2HD       ARG  62 -15.698   1.621   3.311
  740    HE   ARG  62           HE       ARG  62 -15.561  -0.235   5.393
  741   1HH1  ARG  62          1HH1      ARG  62 -13.563   2.211   3.929
  742   2HH1  ARG  62          2HH1      ARG  62 -12.737   2.638   5.399
  743   1HH2  ARG  62          1HH2      ARG  62 -14.469   0.307   7.365
  744   2HH2  ARG  62          2HH2      ARG  62 -13.263   1.558   7.351
  745    H    LYS  63           H        LYS  63 -18.978  -2.781   2.308
  746    HA   LYS  63           HA       LYS  63 -17.030  -4.779   1.438
  747   1HB   LYS  63          1HB       LYS  63 -19.291  -5.031   3.431
  748   2HB   LYS  63          2HB       LYS  63 -18.005  -6.201   3.158
  749   1HG   LYS  63          1HG       LYS  63 -16.362  -4.620   3.979
  750   2HG   LYS  63          2HG       LYS  63 -17.621  -3.402   4.197
  751   1HD   LYS  63          1HD       LYS  63 -18.738  -4.874   5.819
  752   2HD   LYS  63          2HD       LYS  63 -17.441  -6.056   5.623
  753   1HE   LYS  63          1HE       LYS  63 -15.823  -4.436   6.436
  754   2HE   LYS  63          2HE       LYS  63 -17.093  -3.223   6.589
  755   1HZ   LYS  63          1HZ       LYS  63 -16.867  -5.752   8.127
  756   2HZ   LYS  63          2HZ       LYS  63 -18.184  -4.687   8.219
  757   3HZ   LYS  63          3HZ       LYS  63 -16.644  -4.179   8.717
  758    H    ARG  64           H        ARG  64 -20.514  -4.167   1.447
  759    HA   ARG  64           HA       ARG  64 -21.143  -6.602   0.084
  760   1HB   ARG  64          1HB       ARG  64 -23.426  -5.749   0.012
  761   2HB   ARG  64          2HB       ARG  64 -22.741  -5.591   1.619
  762   1HG   ARG  64          1HG       ARG  64 -22.410  -3.236   1.305
  763   2HG   ARG  64          2HG       ARG  64 -22.909  -3.352  -0.383
  764   1HD   ARG  64          1HD       ARG  64 -24.620  -3.860   2.048
  765   2HD   ARG  64          2HD       ARG  64 -24.735  -2.489   0.944
  766    HE   ARG  64           HE       ARG  64 -25.058  -5.108  -0.265
  767   1HH1  ARG  64          1HH1      ARG  64 -26.672  -2.347   1.174
  768   2HH1  ARG  64          2HH1      ARG  64 -28.190  -2.669   0.378
  769   1HH2  ARG  64          1HH2      ARG  64 -27.031  -5.536  -1.282
  770   2HH2  ARG  64          2HH2      ARG  64 -28.389  -4.485  -1.024
  771    H    CYS  65           H        CYS  65 -20.475  -3.333  -0.866
  772    HA   CYS  65           HA       CYS  65 -20.928  -4.126  -3.664
  773   1HB   CYS  65          1HB       CYS  65 -21.011  -1.394  -2.389
  774   2HB   CYS  65          2HB       CYS  65 -20.989  -1.645  -4.130
  775    HG   CYS  65           HG       CYS  65 -23.364  -3.466  -2.747
  776    HA   PRO  66           HA       PRO  66 -16.345  -3.739  -3.265
  777   1HB   PRO  66          1HB       PRO  66 -15.818  -5.795  -4.983
  778   2HB   PRO  66          2HB       PRO  66 -16.046  -6.012  -3.244
  779   1HG   PRO  66          1HG       PRO  66 -17.973  -6.468  -5.482
  780   2HG   PRO  66          2HG       PRO  66 -17.702  -7.432  -4.020
  781   1HD   PRO  66          1HD       PRO  66 -19.782  -5.714  -4.282
  782   2HD   PRO  66          2HD       PRO  66 -19.015  -6.065  -2.721
  783    H    PHE  67           H        PHE  67 -18.464  -4.217  -6.046
  784    HA   PHE  67           HA       PHE  67 -16.745  -3.167  -8.019
  785   1HB   PHE  67          1HB       PHE  67 -18.709  -4.445  -8.649
  786   2HB   PHE  67          2HB       PHE  67 -19.769  -3.262  -7.889
  787    HD1  PHE  67           HD1      PHE  67 -20.693  -1.579  -9.163
  788    HD2  PHE  67           HD2      PHE  67 -17.205  -3.562 -10.574
  789    HE1  PHE  67           HE1      PHE  67 -20.863  -0.354 -11.289
  790    HE2  PHE  67           HE2      PHE  67 -17.367  -2.341 -12.704
  791    HZ   PHE  67           HZ       PHE  67 -19.197  -0.733 -13.063
  792    H    CYS  68           H        CYS  68 -19.371  -1.657  -6.161
  793    HA   CYS  68           HA       CYS  68 -19.077   0.931  -7.185
  794   1HB   CYS  68          1HB       CYS  68 -20.007   0.196  -4.403
  795   2HB   CYS  68          2HB       CYS  68 -20.418   1.646  -5.310
  796    HG   CYS  68           HG       CYS  68 -21.968   0.333  -7.204
  797    H    ARG  69           H        ARG  69 -17.602  -0.684  -4.419
  798    HA   ARG  69           HA       ARG  69 -16.183   1.476  -3.341
  799   1HB   ARG  69          1HB       ARG  69 -16.514  -0.699  -2.221
  800   2HB   ARG  69          2HB       ARG  69 -15.438  -1.454  -3.384
  801   1HG   ARG  69          1HG       ARG  69 -13.600  -0.030  -2.566
  802   2HG   ARG  69          2HG       ARG  69 -14.696   0.639  -1.351
  803   1HD   ARG  69          1HD       ARG  69 -15.067  -1.653  -0.495
  804   2HD   ARG  69          2HD       ARG  69 -13.871  -2.245  -1.643
  805    HE   ARG  69           HE       ARG  69 -12.482  -0.385  -0.302
  806   1HH1  ARG  69          1HH1      ARG  69 -14.537  -3.009   0.759
  807   2HH1  ARG  69          2HH1      ARG  69 -13.658  -3.278   2.232
  808   1HH2  ARG  69          1HH2      ARG  69 -11.315  -0.726   1.650
  809   2HH2  ARG  69          2HH2      ARG  69 -11.837  -1.958   2.753
  810    H    PHE  70           H        PHE  70 -15.216  -0.956  -5.735
  811    HA   PHE  70           HA       PHE  70 -12.608  -0.030  -6.183
  812   1HB   PHE  70          1HB       PHE  70 -13.340  -2.222  -6.931
  813   2HB   PHE  70          2HB       PHE  70 -14.517  -1.495  -8.017
  814    HD1  PHE  70           HD1      PHE  70 -10.845  -1.372  -7.346
  815    HD2  PHE  70           HD2      PHE  70 -13.974  -1.378 -10.230
  816    HE1  PHE  70           HE1      PHE  70  -9.176  -1.393  -9.152
  817    HE2  PHE  70           HE2      PHE  70 -12.311  -1.399 -12.042
  818    HZ   PHE  70           HZ       PHE  70  -9.907  -1.407 -11.505
  819    H    GLN  71           H        GLN  71 -15.622   0.644  -7.956
  820    HA   GLN  71           HA       GLN  71 -14.506   2.406  -9.820
  821   1HB   GLN  71          1HB       GLN  71 -17.319   2.357  -8.716
  822   2HB   GLN  71          2HB       GLN  71 -16.811   3.244 -10.148
  823   1HG   GLN  71          1HG       GLN  71 -16.754   0.257  -9.781
  824   2HG   GLN  71          2HG       GLN  71 -17.886   1.173 -10.772
  825   1HE2  GLN  71          1HE2      GLN  71 -15.849   3.003 -11.762
  826   2HE2  GLN  71          2HE2      GLN  71 -14.906   2.107 -12.900
  827    H    LYS  72           H        LYS  72 -15.874   3.029  -6.599
  828    HA   LYS  72           HA       LYS  72 -15.691   5.774  -6.511
  829   1HB   LYS  72          1HB       LYS  72 -16.626   4.227  -4.771
  830   2HB   LYS  72          2HB       LYS  72 -14.976   3.877  -4.275
  831   1HG   LYS  72          1HG       LYS  72 -15.962   5.509  -2.811
  832   2HG   LYS  72          2HG       LYS  72 -14.651   6.241  -3.740
  833   1HD   LYS  72          1HD       LYS  72 -16.181   7.338  -5.188
  834   2HD   LYS  72          2HD       LYS  72 -17.544   6.419  -4.544
  835   1HE   LYS  72          1HE       LYS  72 -17.170   7.450  -2.367
  836   2HE   LYS  72          2HE       LYS  72 -15.880   8.433  -3.052
  837   1HZ   LYS  72          1HZ       LYS  72 -18.786   8.564  -3.614
  838   2HZ   LYS  72          2HZ       LYS  72 -17.645   9.245  -4.669
  839   3HZ   LYS  72          3HZ       LYS  72 -17.758   9.803  -3.071
  840    H    CYS  73           H        CYS  73 -13.175   3.368  -5.788
  841    HA   CYS  73           HA       CYS  73 -11.115   5.078  -5.045
  842   1HB   CYS  73          1HB       CYS  73 -10.873   2.500  -6.618
  843   2HB   CYS  73          2HB       CYS  73  -9.586   3.274  -5.701
  844    HG   CYS  73           HG       CYS  73 -12.446   1.965  -4.345
  845    H    LEU  74           H        LEU  74 -11.877   3.826  -8.308
  846    HA   LEU  74           HA       LEU  74  -9.896   5.357  -9.615
  847   1HB   LEU  74          1HB       LEU  74 -12.368   3.953 -10.572
  848   2HB   LEU  74          2HB       LEU  74 -11.373   4.887 -11.664
  849    HG   LEU  74           HG       LEU  74  -9.431   3.435 -10.935
  850   1HD1  LEU  74          1HD1      LEU  74 -11.676   1.767  -9.856
  851   2HD1  LEU  74          2HD1      LEU  74 -10.394   2.534  -8.920
  852   3HD1  LEU  74          3HD1      LEU  74 -10.006   1.237 -10.051
  853   1HD2  LEU  74          1HD2      LEU  74 -10.036   1.647 -12.466
  854   2HD2  LEU  74          2HD2      LEU  74 -10.544   3.214 -13.098
  855   3HD2  LEU  74          3HD2      LEU  74 -11.730   2.128 -12.373
  856    H    THR  75           H        THR  75 -13.211   6.071  -8.725
  857    HA   THR  75           HA       THR  75 -13.628   8.268 -10.439
  858    HB   THR  75           HB       THR  75 -14.844   7.747  -7.716
  859    HG1  THR  75           HG1      THR  75 -15.219   6.098  -9.315
  860   1HG2  THR  75          1HG2      THR  75 -16.662   9.208  -8.468
  861   2HG2  THR  75          2HG2      THR  75 -15.780   9.543  -9.958
  862   3HG2  THR  75          3HG2      THR  75 -15.128  10.078  -8.408
  863    H    VAL  76           H        VAL  76 -12.345   8.101  -7.124
  864    HA   VAL  76           HA       VAL  76 -12.048  10.943  -6.946
  865    HB   VAL  76           HB       VAL  76 -10.748  10.478  -4.872
  866   1HG1  VAL  76          1HG1      VAL  76 -12.657   9.604  -3.607
  867   2HG1  VAL  76          2HG1      VAL  76 -13.408   9.073  -5.112
  868   3HG1  VAL  76          3HG1      VAL  76 -13.163  10.793  -4.808
  869   1HG2  VAL  76          1HG2      VAL  76 -11.362   7.601  -5.538
  870   2HG2  VAL  76          2HG2      VAL  76 -10.703   8.182  -4.009
  871   3HG2  VAL  76          3HG2      VAL  76  -9.763   8.343  -5.493
  872    H    GLY  77           H        GLY  77 -10.073   8.344  -8.126
  873   1HA   GLY  77          1HA       GLY  77  -8.598   9.168  -9.933
  874   2HA   GLY  77          2HA       GLY  77  -8.050  10.387  -8.798
  875    H    MET  78           H        MET  78  -8.534   7.010  -7.881
  876    HA   MET  78           HA       MET  78  -5.744   6.786  -7.205
  877   1HB   MET  78          1HB       MET  78  -7.987   4.763  -7.132
  878   2HB   MET  78          2HB       MET  78  -6.338   4.405  -6.636
  879   1HG   MET  78          1HG       MET  78  -6.535   6.267  -4.973
  880   2HG   MET  78          2HG       MET  78  -8.247   6.358  -5.384
  881   1HE   MET  78          1HE       MET  78  -5.955   3.155  -5.135
  882   2HE   MET  78          2HE       MET  78  -6.238   2.669  -3.464
  883   3HE   MET  78          3HE       MET  78  -5.389   4.177  -3.813
  884    H    ARG  79           H        ARG  79  -4.200   6.268  -8.559
  885    HA   ARG  79           HA       ARG  79  -4.820   5.637 -11.273
  886   1HB   ARG  79          1HB       ARG  79  -2.113   5.676  -9.930
  887   2HB   ARG  79          2HB       ARG  79  -2.430   5.775 -11.658
  888   1HG   ARG  79          1HG       ARG  79  -3.206   7.826  -9.591
  889   2HG   ARG  79          2HG       ARG  79  -1.882   7.958 -10.750
  890   1HD   ARG  79          1HD       ARG  79  -3.389   8.042 -12.587
  891   2HD   ARG  79          2HD       ARG  79  -4.754   7.588 -11.569
  892    HE   ARG  79           HE       ARG  79  -3.648   9.974 -10.587
  893   1HH1  ARG  79          1HH1      ARG  79  -5.415   8.793 -13.376
  894   2HH1  ARG  79          2HH1      ARG  79  -6.252  10.299 -13.633
  895   1HH2  ARG  79          1HH2      ARG  79  -4.719  11.956 -10.951
  896   2HH2  ARG  79          2HH2      ARG  79  -5.816  12.105 -12.292
  897    H    LEU  80           H        LEU  80  -5.191   3.721 -12.078
  898    HA   LEU  80           HA       LEU  80  -4.955   1.281 -10.732
  899   1HB   LEU  80          1HB       LEU  80  -5.041   1.837 -13.699
  900   2HB   LEU  80          2HB       LEU  80  -5.266   0.258 -12.974
  901    HG   LEU  80           HG       LEU  80  -7.068   2.598 -12.382
  902   1HD1  LEU  80          1HD1      LEU  80  -8.625   1.616 -13.984
  903   2HD1  LEU  80          2HD1      LEU  80  -7.421   0.402 -14.417
  904   3HD1  LEU  80          3HD1      LEU  80  -7.124   2.104 -14.772
  905   1HD2  LEU  80          1HD2      LEU  80  -7.075   0.793 -10.732
  906   2HD2  LEU  80          2HD2      LEU  80  -7.386  -0.380 -12.010
  907   3HD2  LEU  80          3HD2      LEU  80  -8.595   0.845 -11.624
  908    H    GLU  81           H        GLU  81  -2.802   2.931 -12.943
  909    HA   GLU  81           HA       GLU  81  -1.003   0.727 -13.251
  910   1HB   GLU  81          1HB       GLU  81   0.393   2.353 -14.469
  911   2HB   GLU  81          2HB       GLU  81  -1.273   2.342 -15.030
  912   1HG   GLU  81          1HG       GLU  81  -1.641   4.321 -13.479
  913   2HG   GLU  81          2HG       GLU  81   0.116   4.403 -13.354
  914    H    ALA  82           H        ALA  82  -1.553   2.424 -10.577
  915    HA   ALA  82           HA       ALA  82   1.262   2.725  -9.813
  916   1HB   ALA  82          1HB       ALA  82  -0.228   4.606  -9.315
  917   2HB   ALA  82          2HB       ALA  82   0.432   3.893  -7.842
  918   3HB   ALA  82          3HB       ALA  82  -1.229   3.546  -8.321
  919    H    VAL  83           H        VAL  83  -0.897   0.325  -9.930
  920    HA   VAL  83           HA       VAL  83  -0.192  -0.849  -7.338
  921    HB   VAL  83           HB       VAL  83  -2.605  -0.857  -8.306
  922   1HG1  VAL  83          1HG1      VAL  83  -2.073  -1.624 -10.534
  923   2HG1  VAL  83          2HG1      VAL  83  -3.142  -2.771  -9.727
  924   3HG1  VAL  83          3HG1      VAL  83  -1.422  -3.129  -9.885
  925   1HG2  VAL  83          1HG2      VAL  83  -1.381  -3.431  -7.325
  926   2HG2  VAL  83          2HG2      VAL  83  -3.096  -3.013  -7.283
  927   3HG2  VAL  83          3HG2      VAL  83  -1.939  -2.097  -6.315
  928    H    ARG  84           H        ARG  84   0.935  -2.829  -7.216
  929    HA   ARG  84           HA       ARG  84   2.162  -3.686  -9.752
  930   1HB   ARG  84          1HB       ARG  84   3.653  -2.756  -7.863
  931   2HB   ARG  84          2HB       ARG  84   3.321  -4.274  -7.037
  932   1HG   ARG  84          1HG       ARG  84   5.404  -4.464  -8.208
  933   2HG   ARG  84          2HG       ARG  84   4.206  -5.485  -9.010
  934   1HD   ARG  84          1HD       ARG  84   3.797  -3.540 -10.574
  935   2HD   ARG  84          2HD       ARG  84   5.238  -2.797  -9.885
  936    HE   ARG  84           HE       ARG  84   5.212  -5.368 -11.350
  937   1HH1  ARG  84          1HH1      ARG  84   6.788  -2.384 -10.406
  938   2HH1  ARG  84          2HH1      ARG  84   8.181  -2.649 -11.411
  939   1HH2  ARG  84          1HH2      ARG  84   7.037  -5.724 -12.664
  940   2HH2  ARG  84          2HH2      ARG  84   8.338  -4.568 -12.676
  941    H    ALA  85           H        ALA  85   1.212  -5.456 -10.497
  942    HA   ALA  85           HA       ALA  85  -0.133  -7.292  -8.690
  943   1HB   ALA  85          1HB       ALA  85  -0.922  -8.390 -10.701
  944   2HB   ALA  85          2HB       ALA  85   0.137  -7.382 -11.686
  945   3HB   ALA  85          3HB       ALA  85  -1.198  -6.651 -10.794
  946    H    ASP  86           H        ASP  86   2.888  -7.010 -10.231
  947    HA   ASP  86           HA       ASP  86   3.614  -9.654 -10.701
  948   1HB   ASP  86          1HB       ASP  86   5.316  -7.317  -9.822
  949   2HB   ASP  86          2HB       ASP  86   5.971  -8.862 -10.352
  950    H    ARG  87           H        ARG  87   4.973  -7.824  -8.016
  951    HA   ARG  87           HA       ARG  87   4.224  -9.275  -5.841
  952   1HB   ARG  87          1HB       ARG  87   5.121 -11.271  -6.987
  953   2HB   ARG  87          2HB       ARG  87   6.697 -10.505  -7.099
  954   1HG   ARG  87          1HG       ARG  87   6.612 -12.156  -5.313
  955   2HG   ARG  87          2HG       ARG  87   6.895 -10.535  -4.678
  956   1HD   ARG  87          1HD       ARG  87   5.265 -11.836  -3.349
  957   2HD   ARG  87          2HD       ARG  87   4.606 -10.340  -4.004
  958    HE   ARG  87           HE       ARG  87   3.345 -11.613  -5.564
  959   1HH1  ARG  87          1HH1      ARG  87   5.074 -13.577  -3.235
  960   2HH1  ARG  87          2HH1      ARG  87   3.999 -14.940  -3.403
  961   1HH2  ARG  87          1HH2      ARG  87   1.913 -13.378  -5.762
  962   2HH2  ARG  87          2HH2      ARG  87   2.188 -14.819  -4.815
  963    H    MET  88           H        MET  88   6.871  -7.782  -7.574
  964    HA   MET  88           HA       MET  88   8.552  -6.974  -5.549
  965   1HB   MET  88          1HB       MET  88   7.747  -5.531  -8.074
  966   2HB   MET  88          2HB       MET  88   9.046  -4.985  -7.022
  967   1HG   MET  88          1HG       MET  88   8.962  -7.707  -8.279
  968   2HG   MET  88          2HG       MET  88   9.759  -6.317  -9.016
  969   1HE   MET  88          1HE       MET  88  12.655  -5.556  -6.561
  970   2HE   MET  88          2HE       MET  88  11.072  -4.784  -6.662
  971   3HE   MET  88          3HE       MET  88  11.940  -5.213  -8.137
  972    H    ARG  89           H        ARG  89   8.411  -5.681  -3.887
  973    HA   ARG  89           HA       ARG  89   5.951  -4.152  -3.482
  974   1HB   ARG  89          1HB       ARG  89   8.145  -4.918  -1.546
  975   2HB   ARG  89          2HB       ARG  89   6.668  -4.070  -1.117
  976   1HG   ARG  89          1HG       ARG  89   5.335  -5.988  -1.672
  977   2HG   ARG  89          2HG       ARG  89   6.750  -6.836  -2.304
  978   1HD   ARG  89          1HD       ARG  89   7.754  -6.874  -0.107
  979   2HD   ARG  89          2HD       ARG  89   6.430  -5.917   0.549
  980    HE   ARG  89           HE       ARG  89   5.151  -8.078  -0.418
  981   1HH1  ARG  89          1HH1      ARG  89   7.951  -7.724   1.652
  982   2HH1  ARG  89          2HH1      ARG  89   7.646  -9.194   2.527
  983   1HH2  ARG  89          1HH2      ARG  89   4.748 -10.016   0.753
  984   2HH2  ARG  89          2HH2      ARG  89   5.848 -10.495   2.017
  985    H    GLY  90           H        GLY  90   8.800  -3.514  -4.835
  986   1HA   GLY  90          1HA       GLY  90   8.909  -0.787  -3.720
  987   2HA   GLY  90          2HA       GLY  90  10.373  -1.696  -4.071
  988    H    GLY  91           H        GLY  91   8.660   0.766  -5.164
  989   1HA   GLY  91          1HA       GLY  91   9.881   0.708  -7.738
  990   2HA   GLY  91          2HA       GLY  91   8.154   0.401  -7.853
  991    H    ARG  92           H        ARG  92  10.002   2.573  -5.731
  992    HA   ARG  92           HA       ARG  92   8.108   4.687  -6.356
  993   1HB   ARG  92          1HB       ARG  92   8.711   4.264  -4.005
  994   2HB   ARG  92          2HB       ARG  92  10.390   4.632  -4.370
  995   1HG   ARG  92          1HG       ARG  92   9.853   6.920  -4.835
  996   2HG   ARG  92          2HG       ARG  92   8.126   6.589  -4.690
  997   1HD   ARG  92          1HD       ARG  92   8.916   7.649  -2.673
  998   2HD   ARG  92          2HD       ARG  92   8.470   5.980  -2.326
  999    HE   ARG  92           HE       ARG  92  11.245   6.198  -2.908
 1000   1HH1  ARG  92          1HH1      ARG  92   8.866   6.731  -0.398
 1001   2HH1  ARG  92          2HH1      ARG  92  10.024   6.652   0.894
 1002   1HH2  ARG  92          1HH2      ARG  92  12.773   6.064  -1.205
 1003   2HH2  ARG  92          2HH2      ARG  92  12.243   6.265   0.438
 1004    H    ASN  93           H        ASN  93   8.716   5.136  -8.495
 1005    HA   ASN  93           HA       ASN  93  10.831   7.073  -8.695
 1006   1HB   ASN  93          1HB       ASN  93  11.789   5.860 -10.775
 1007   2HB   ASN  93          2HB       ASN  93  12.301   5.340  -9.177
 1008   1HD2  ASN  93          1HD2      ASN  93  12.910   3.346 -10.026
 1009   2HD2  ASN  93          2HD2      ASN  93  11.744   2.126 -10.417
 1010    H    LYS  94           H        LYS  94   8.648   5.060 -10.668
 1011    HA   LYS  94           HA       LYS  94   8.365   6.788 -12.822
 1012   1HB   LYS  94          1HB       LYS  94   6.411   4.816 -11.641
 1013   2HB   LYS  94          2HB       LYS  94   6.156   5.633 -13.177
 1014   1HG   LYS  94          1HG       LYS  94   8.089   4.587 -14.123
 1015   2HG   LYS  94          2HG       LYS  94   8.536   3.898 -12.562
 1016   1HD   LYS  94          1HD       LYS  94   6.581   2.498 -12.560
 1017   2HD   LYS  94          2HD       LYS  94   5.974   3.276 -14.025
 1018   1HE   LYS  94          1HE       LYS  94   6.995   1.086 -14.476
 1019   2HE   LYS  94          2HE       LYS  94   7.827   2.401 -15.301
 1020   1HZ   LYS  94          1HZ       LYS  94   9.556   2.351 -13.662
 1021   2HZ   LYS  94          2HZ       LYS  94   9.342   0.780 -14.266
 1022   3HZ   LYS  94          3HZ       LYS  94   8.728   1.193 -12.740
 1023    H    PHE  95           H        PHE  95   6.406   6.619  -9.872
 1024    HA   PHE  95           HA       PHE  95   4.890   8.957 -10.712
 1025   1HB   PHE  95          1HB       PHE  95   4.635   7.181  -8.276
 1026   2HB   PHE  95          2HB       PHE  95   3.559   8.522  -8.657
 1027    HD1  PHE  95           HD1      PHE  95   4.619   5.141  -9.638
 1028    HD2  PHE  95           HD2      PHE  95   1.885   8.326 -10.349
 1029    HE1  PHE  95           HE1      PHE  95   3.218   3.635 -10.987
 1030    HE2  PHE  95           HE2      PHE  95   0.482   6.824 -11.700
 1031    HZ   PHE  95           HZ       PHE  95   1.148   4.477 -12.019
 1032    H    GLY  96           H        GLY  96   7.816   8.673  -9.582
 1033   1HA   GLY  96          1HA       GLY  96   8.061   9.992  -7.158
 1034   2HA   GLY  96          2HA       GLY  96   9.263  10.026  -8.437
 1035    HA   PRO  97           HA       PRO  97   8.543  14.230  -9.657
 1036   1HB   PRO  97          1HB       PRO  97   6.809  14.168 -11.860
 1037   2HB   PRO  97          2HB       PRO  97   8.571  14.123 -11.915
 1038   1HG   PRO  97          1HG       PRO  97   6.609  11.884 -12.071
 1039   2HG   PRO  97          2HG       PRO  97   8.162  12.082 -12.905
 1040   1HD   PRO  97          1HD       PRO  97   7.916  10.420 -10.828
 1041   2HD   PRO  97          2HD       PRO  97   9.385  11.397 -11.049
 1042    H    MET  98           H        MET  98   5.434  12.486 -10.026
 1043    HA   MET  98           HA       MET  98   3.909  14.826  -9.450
 1044   1HB   MET  98          1HB       MET  98   1.954  13.423  -9.508
 1045   2HB   MET  98          2HB       MET  98   3.018  12.961 -10.825
 1046   1HG   MET  98          1HG       MET  98   3.771  11.032  -9.571
 1047   2HG   MET  98          2HG       MET  98   2.764  11.507  -8.205
 1048   1HE   MET  98          1HE       MET  98  -0.843  11.084  -9.690
 1049   2HE   MET  98          2HE       MET  98   0.139  12.549  -9.678
 1050   3HE   MET  98          3HE       MET  98   0.099  11.503  -8.260
 1051    H    TYR  99           H        TYR  99   5.080  12.103  -7.552
 1052    HA   TYR  99           HA       TYR  99   3.660  12.649  -5.182
 1053   1HB   TYR  99          1HB       TYR  99   6.213  11.204  -5.799
 1054   2HB   TYR  99          2HB       TYR  99   5.780  11.521  -4.126
 1055    HD1  TYR  99           HD1      TYR  99   2.893  11.093  -4.115
 1056    HD2  TYR  99           HD2      TYR  99   5.932   8.923  -6.143
 1057    HE1  TYR  99           HE1      TYR  99   1.462   9.096  -4.098
 1058    HE2  TYR  99           HE2      TYR  99   4.508   6.916  -6.135
 1059    HH   TYR  99           HH       TYR  99   2.643   5.978  -4.975
 1060    H    LYS 100           H        LYS 100   6.950  13.554  -6.164
 1061    HA   LYS 100           HA       LYS 100   7.598  15.000  -3.866
 1062   1HB   LYS 100          1HB       LYS 100   8.605  15.079  -6.685
 1063   2HB   LYS 100          2HB       LYS 100   9.234  16.185  -5.472
 1064   1HG   LYS 100          1HG       LYS 100   9.887  14.245  -4.094
 1065   2HG   LYS 100          2HG       LYS 100   9.327  13.180  -5.387
 1066   1HD   LYS 100          1HD       LYS 100  10.957  14.012  -6.892
 1067   2HD   LYS 100          2HD       LYS 100  11.414  15.305  -5.783
 1068   1HE   LYS 100          1HE       LYS 100  12.231  13.624  -4.189
 1069   2HE   LYS 100          2HE       LYS 100  11.801  12.349  -5.329
 1070   1HZ   LYS 100          1HZ       LYS 100  13.382  13.216  -6.897
 1071   2HZ   LYS 100          2HZ       LYS 100  14.166  12.949  -5.414
 1072   3HZ   LYS 100          3HZ       LYS 100  13.747  14.525  -5.882
 1073    H    ARG 101           H        ARG 101   6.365  16.203  -6.986
 1074    HA   ARG 101           HA       ARG 101   6.398  18.915  -6.264
 1075   1HB   ARG 101          1HB       ARG 101   6.269  18.198  -8.589
 1076   2HB   ARG 101          2HB       ARG 101   4.680  17.500  -8.307
 1077   1HG   ARG 101          1HG       ARG 101   3.782  19.717  -7.830
 1078   2HG   ARG 101          2HG       ARG 101   5.377  20.422  -8.095
 1079   1HD   ARG 101          1HD       ARG 101   3.819  18.875 -10.159
 1080   2HD   ARG 101          2HD       ARG 101   3.848  20.633 -10.039
 1081    HE   ARG 101           HE       ARG 101   6.469  19.483 -10.238
 1082   1HH1  ARG 101          1HH1      ARG 101   3.670  20.516 -12.066
 1083   2HH1  ARG 101          2HH1      ARG 101   4.575  20.841 -13.512
 1084   1HH2  ARG 101          1HH2      ARG 101   7.665  19.873 -12.146
 1085   2HH2  ARG 101          2HH2      ARG 101   6.840  20.467 -13.566
 1086    H    ASP 102           H        ASP 102   3.704  16.567  -6.222
 1087    HA   ASP 102           HA       ASP 102   1.725  18.411  -5.478
 1088   1HB   ASP 102          1HB       ASP 102   1.265  16.143  -6.379
 1089   2HB   ASP 102          2HB       ASP 102   1.784  15.456  -4.843
 1090    H    ARG 103           H        ARG 103   3.723  16.254  -3.473
 1091    HA   ARG 103           HA       ARG 103   2.583  16.986  -1.006
 1092   1HB   ARG 103          1HB       ARG 103   5.396  16.049  -1.575
 1093   2HB   ARG 103          2HB       ARG 103   4.663  16.137   0.019
 1094   1HG   ARG 103          1HG       ARG 103   2.973  14.496  -0.698
 1095   2HG   ARG 103          2HG       ARG 103   3.795  14.370  -2.257
 1096   1HD   ARG 103          1HD       ARG 103   4.812  13.584   0.461
 1097   2HD   ARG 103          2HD       ARG 103   4.590  12.564  -0.960
 1098    HE   ARG 103           HE       ARG 103   6.412  14.475  -1.718
 1099   1HH1  ARG 103          1HH1      ARG 103   6.234  12.055   0.796
 1100   2HH1  ARG 103          2HH1      ARG 103   7.957  11.840   0.894
 1101   1HH2  ARG 103          1HH2      ARG 103   8.669  14.245  -1.572
 1102   2HH2  ARG 103          2HH2      ARG 103   9.354  13.091  -0.457
 1103    H    ALA 104           H        ALA 104   5.266  18.369  -2.853
 1104    HA   ALA 104           HA       ALA 104   6.171  20.156  -0.864
 1105   1HB   ALA 104          1HB       ALA 104   7.315  21.318  -2.673
 1106   2HB   ALA 104          2HB       ALA 104   6.361  20.428  -3.860
 1107   3HB   ALA 104          3HB       ALA 104   7.505  19.572  -2.825
 1108    H    LEU 105           H        LEU 105   3.691  20.394  -3.323
 1109    HA   LEU 105           HA       LEU 105   3.092  23.149  -2.918
 1110   1HB   LEU 105          1HB       LEU 105   1.359  20.933  -4.004
 1111   2HB   LEU 105          2HB       LEU 105   1.045  22.651  -4.171
 1112    HG   LEU 105           HG       LEU 105   3.446  21.245  -5.336
 1113   1HD1  LEU 105          1HD1      LEU 105   2.304  21.470  -7.480
 1114   2HD1  LEU 105          2HD1      LEU 105   0.884  22.118  -6.659
 1115   3HD1  LEU 105          3HD1      LEU 105   1.388  20.453  -6.367
 1116   1HD2  LEU 105          1HD2      LEU 105   3.711  23.311  -6.613
 1117   2HD2  LEU 105          2HD2      LEU 105   3.803  23.615  -4.879
 1118   3HD2  LEU 105          3HD2      LEU 105   2.333  24.015  -5.768
 1119    H    LYS 106           H        LYS 106   1.915  20.125  -1.596
 1120    HA   LYS 106           HA       LYS 106  -0.282  21.273  -0.192
 1121   1HB   LYS 106          1HB       LYS 106  -0.250  18.927  -0.887
 1122   2HB   LYS 106          2HB       LYS 106   1.108  18.620   0.186
 1123   1HG   LYS 106          1HG       LYS 106  -0.227  19.000   2.113
 1124   2HG   LYS 106          2HG       LYS 106  -1.571  19.595   1.133
 1125   1HD   LYS 106          1HD       LYS 106  -1.750  17.372   0.088
 1126   2HD   LYS 106          2HD       LYS 106  -0.461  16.793   1.146
 1127   1HE   LYS 106          1HE       LYS 106  -1.796  17.139   3.084
 1128   2HE   LYS 106          2HE       LYS 106  -3.025  17.998   2.155
 1129   1HZ   LYS 106          1HZ       LYS 106  -3.670  15.718   2.662
 1130   2HZ   LYS 106          2HZ       LYS 106  -2.321  15.141   1.817
 1131   3HZ   LYS 106          3HZ       LYS 106  -3.541  15.977   0.991
 1132    H    GLN 107           H        GLN 107   3.025  20.376   0.695
 1133    HA   GLN 107           HA       GLN 107   2.635  20.923   3.482
 1134   1HB   GLN 107          1HB       GLN 107   5.038  20.642   3.719
 1135   2HB   GLN 107          2HB       GLN 107   4.361  19.352   2.736
 1136   1HG   GLN 107          1HG       GLN 107   5.173  20.406   0.726
 1137   2HG   GLN 107          2HG       GLN 107   5.766  21.781   1.656
 1138   1HE2  GLN 107          1HE2      GLN 107   6.689  20.126   3.851
 1139   2HE2  GLN 107          2HE2      GLN 107   8.133  19.348   3.304
 1140    H    GLN 108           H        GLN 108   2.679  22.960   0.939
 1141    HA   GLN 108           HA       GLN 108   4.103  25.198   1.859
 1142   1HB   GLN 108          1HB       GLN 108   3.115  25.082  -0.378
 1143   2HB   GLN 108          2HB       GLN 108   1.503  25.033   0.317
 1144   1HG   GLN 108          1HG       GLN 108   2.064  27.308   1.328
 1145   2HG   GLN 108          2HG       GLN 108   3.425  27.326   0.204
 1146   1HE2  GLN 108          1HE2      GLN 108   3.022  27.440  -2.015
 1147   2HE2  GLN 108          2HE2      GLN 108   1.476  27.921  -2.641
 1148    H    LYS 109           H        LYS 109   1.023  23.804   2.701
 1149    HA   LYS 109           HA       LYS 109   0.745  25.768   4.875
 1150   1HB   LYS 109          1HB       LYS 109  -1.454  24.500   3.227
 1151   2HB   LYS 109          2HB       LYS 109  -1.722  25.485   4.657
 1152   1HG   LYS 109          1HG       LYS 109  -0.797  27.415   3.568
 1153   2HG   LYS 109          2HG       LYS 109  -0.332  26.450   2.169
 1154   1HD   LYS 109          1HD       LYS 109  -2.316  27.618   1.583
 1155   2HD   LYS 109          2HD       LYS 109  -2.765  25.934   1.834
 1156   1HE   LYS 109          1HE       LYS 109  -3.047  28.029   3.976
 1157   2HE   LYS 109          2HE       LYS 109  -4.317  27.694   2.804
 1158   1HZ   LYS 109          1HZ       LYS 109  -4.828  26.430   4.694
 1159   2HZ   LYS 109          2HZ       LYS 109  -3.236  25.889   4.890
 1160   3HZ   LYS 109          3HZ       LYS 109  -4.173  25.316   3.599
 1161    H    LYS 110           H        LYS 110  -1.022  22.813   4.029
 1162    HA   LYS 110           HA       LYS 110   0.161  21.149   5.984
 1163   1HB   LYS 110          1HB       LYS 110  -1.096  22.764   7.465
 1164   2HB   LYS 110          2HB       LYS 110  -2.584  22.191   6.726
 1165   1HG   LYS 110          1HG       LYS 110  -2.053  19.910   7.530
 1166   2HG   LYS 110          2HG       LYS 110  -0.644  20.571   8.362
 1167   1HD   LYS 110          1HD       LYS 110  -2.188  22.100   9.598
 1168   2HD   LYS 110          2HD       LYS 110  -3.543  21.237   8.867
 1169   1HE   LYS 110          1HE       LYS 110  -3.205  20.311  11.032
 1170   2HE   LYS 110          2HE       LYS 110  -2.614  19.130   9.864
 1171   1HZ   LYS 110          1HZ       LYS 110  -0.346  20.053  10.268
 1172   2HZ   LYS 110          2HZ       LYS 110  -1.031  19.276  11.609
 1173   3HZ   LYS 110          3HZ       LYS 110  -0.996  20.970  11.542
 1174    H    ALA 111           H        ALA 111  -2.944  21.915   4.449
 1175    HA   ALA 111           HA       ALA 111  -2.959  19.288   3.175
 1176   1HB   ALA 111          1HB       ALA 111  -5.272  18.859   3.829
 1177   2HB   ALA 111          2HB       ALA 111  -5.282  20.334   4.796
 1178   3HB   ALA 111          3HB       ALA 111  -4.232  18.990   5.248